NepoIP/MM: Towards Accurate Biomolecular Simulation with a Machine Learning/Molecular Mechanics Model Incorporating Polarization Effects | Paper Citation Record

Observation 2361a765-ebff-425f-886d-0df167edfac6 · outbound

This paper cites O.; Shaw, D.

NepoIP/MM: Towards Accurate Biomolecular Simulation with a Machine Learning/Molecular Mechanics Model Incorporating Polarization Effects O.; Shaw, D

Reference 1

Resolution: verified fuzzy; raw_fallback, observed 2026-08-09T11:08:33.286237Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-10T06:31:04.303077+00:00.

Observation ab13743f-5452-4e04-a983-39401e38d1a1 · outbound

This paper cites an unresolved cited work.

NepoIP/MM: Towards Accurate Biomolecular Simulation with a Machine Learning/Molecular Mechanics Model Incorporating Polarization Effects Unresolved cited work

Reference 2

Resolution: unresolved; raw_fallback, observed 2026-08-09T11:08:33.323732Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-10T06:31:04.303077+00:00.

Observation 386ac346-cf7c-4428-949b-c924ff7521c2 · outbound

This paper cites The reference QM theory was at the semi - empirical DFTB level with dispersion correction (51) , with TIP3P water model (52) for the MM region.

NepoIP/MM: Towards Accurate Biomolecular Simulation with a Machine Learning/Molecular Mechanics Model Incorporating Polarization Effects The reference QM theory was at the semi - empirical DFTB level with dispersion correction (51) , with TIP3P water model (52) for the MM region

Reference 3

Resolution: verified fuzzy; raw_fallback, observed 2026-08-09T11:08:33.423644Z

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No event found in the named queried sources as of 2026-08-10T06:31:04.303077+00:00.

Observation b33f609e-826e-4769-ae52-86e254fb616d · outbound

This paper cites The results shown in Fig.

NepoIP/MM: Towards Accurate Biomolecular Simulation with a Machine Learning/Molecular Mechanics Model Incorporating Polarization Effects The results shown in Fig

Reference 4

Resolution: verified fuzzy; raw_fallback, observed 2026-08-09T11:08:33.296364Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-10T06:31:04.303077+00:00.

Observation d170f679-8e7f-404c-a094-6a1574f67c43 · outbound

This paper cites an unresolved cited work.

NepoIP/MM: Towards Accurate Biomolecular Simulation with a Machine Learning/Molecular Mechanics Model Incorporating Polarization Effects Unresolved cited work

Reference 5

Resolution: unresolved; raw_fallback, observed 2026-08-09T11:08:33.537887Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-10T06:31:04.303077+00:00.

Observation f4421bb1-fd3c-4a66-af72-b684fe79f950 · outbound

This paper cites K.; Greenwood, J.; Romero, D.

NepoIP/MM: Towards Accurate Biomolecular Simulation with a Machine Learning/Molecular Mechanics Model Incorporating Polarization Effects K.; Greenwood, J.; Romero, D

Reference 6

Resolution: verified fuzzy; raw_fallback, observed 2026-08-09T11:08:33.275707Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-10T06:31:04.303077+00:00.

Observation 9f6a9435-1de5-4506-8a7a-f4f11d71db31 · outbound

This paper cites A., Molecular dynamics simulations of biomolecules.

NepoIP/MM: Towards Accurate Biomolecular Simulation with a Machine Learning/Molecular Mechanics Model Incorporating Polarization Effects A., Molecular dynamics simulations of biomolecules

Reference 7

Resolution: verified fuzzy; raw_fallback, observed 2026-08-09T11:08:33.263898Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-10T06:31:04.303077+00:00.

Observation 2bd527ef-86e9-402e-88df-2c22ef75898e · outbound

This paper cites A.; McCammon, J.

NepoIP/MM: Towards Accurate Biomolecular Simulation with a Machine Learning/Molecular Mechanics Model Incorporating Polarization Effects A.; McCammon, J

Reference 8

Resolution: verified fuzzy; raw_fallback, observed 2026-08-09T11:08:33.248350Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-10T06:31:04.303077+00:00.

Observation 1b7a8311-0104-4437-9866-282eb0ee4525 · outbound

This paper cites M., Equilibrium Sampling in Biomolecular Simulations.

NepoIP/MM: Towards Accurate Biomolecular Simulation with a Machine Learning/Molecular Mechanics Model Incorporating Polarization Effects M., Equilibrium Sampling in Biomolecular Simulations

Reference 9

Resolution: verified fuzzy; raw_fallback, observed 2026-08-09T11:08:33.238183Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-10T06:31:04.303077+00:00.

Observation 203a8a92-3d19-499e-a726-24c8ec61a4b8 · outbound

This paper cites A.; Dror, R.

NepoIP/MM: Towards Accurate Biomolecular Simulation with a Machine Learning/Molecular Mechanics Model Incorporating Polarization Effects A.; Dror, R

Reference 10

Resolution: verified fuzzy; raw_fallback, observed 2026-08-09T11:08:33.228796Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-10T06:31:04.303077+00:00.

Observation 6b3c2968-15bc-4b2a-9d1d-752dd6539047 · outbound

This paper cites F.; Daura, X.; Hansen, N.; Mark, A.

NepoIP/MM: Towards Accurate Biomolecular Simulation with a Machine Learning/Molecular Mechanics Model Incorporating Polarization Effects F.; Daura, X.; Hansen, N.; Mark, A

Reference 11

Resolution: verified fuzzy; raw_fallback, observed 2026-08-09T11:08:33.144148Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-10T06:31:04.303077+00:00.

Observation 54ee46c3-4812-4bd6-b85f-ffcef47b0340 · outbound

This paper cites Nature 2024 , 627, 905 - 914.

NepoIP/MM: Towards Accurate Biomolecular Simulation with a Machine Learning/Molecular Mechanics Model Incorporating Polarization Effects Nature 2024 , 627, 905 - 914

Reference 12

Resolution: verified fuzzy; raw_fallback, observed 2026-08-09T11:08:33.086031Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-10T06:31:04.303077+00:00.

Observation a9029240-34cf-48c4-b6f2-a939272bd5fd · outbound

This paper cites A.; Kanekiyo, M.; Amaro, R.

NepoIP/MM: Towards Accurate Biomolecular Simulation with a Machine Learning/Molecular Mechanics Model Incorporating Polarization Effects A.; Kanekiyo, M.; Amaro, R

Reference 13

Resolution: verified fuzzy; raw_fallback, observed 2026-08-09T11:08:33.076359Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-10T06:31:04.303077+00:00.

Observation fc5b9759-80bd-4dbc-9802-2e36c39b7862 · outbound

This paper cites E.; Maragakis, P.; Lindorff - Larsen, K.; Piana, S.; Dror, R.

NepoIP/MM: Towards Accurate Biomolecular Simulation with a Machine Learning/Molecular Mechanics Model Incorporating Polarization Effects E.; Maragakis, P.; Lindorff - Larsen, K.; Piana, S.; Dror, R

Reference 14

Resolution: verified fuzzy; raw_fallback, observed 2026-08-09T11:08:33.058561Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-10T06:31:04.303077+00:00.

Observation 84a06c1e-3c3e-435b-8eec-9b3bf83f38b7 · outbound

This paper cites P .; Dror, R.

NepoIP/MM: Towards Accurate Biomolecular Simulation with a Machine Learning/Molecular Mechanics Model Incorporating Polarization Effects P .; Dror, R

Reference 15

Resolution: verified fuzzy; raw_fallback, observed 2026-08-09T11:08:32.913190Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-10T06:31:04.303077+00:00.

Observation bd2efed3-075a-4853-aab0-519030226ecb · outbound

This paper cites S.; Head - Gordon, T., New developments in force fields for biomolecular simulations.

NepoIP/MM: Towards Accurate Biomolecular Simulation with a Machine Learning/Molecular Mechanics Model Incorporating Polarization Effects S.; Head - Gordon, T., New developments in force fields for biomolecular simulations

Reference 16

Resolution: verified fuzzy; raw_fallback, observed 2026-08-09T11:08:32.771976Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-10T06:31:04.303077+00:00.

Observation e1b841ed-898c-4563-afdc-2331c07dedad · outbound

This paper cites U.; Chen, H.

NepoIP/MM: Towards Accurate Biomolecular Simulation with a Machine Learning/Molecular Mechanics Model Incorporating Polarization Effects U.; Chen, H

Reference 17

Resolution: verified fuzzy; raw_fallback, observed 2026-08-09T11:08:32.763483Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-10T06:31:04.303077+00:00.

Observation fae9bd86-9562-472c-b475-d9d3050db270 · outbound

This paper cites - F., Comprehensive Comparison and Critical Assessment of RNA - Specific Force Fields.

NepoIP/MM: Towards Accurate Biomolecular Simulation with a Machine Learning/Molecular Mechanics Model Incorporating Polarization Effects - F., Comprehensive Comparison and Critical Assessment of RNA - Specific Force Fields

Reference 18

Resolution: verified fuzzy; raw_fallback, observed 2026-08-09T11:08:32.753873Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-10T06:31:04.303077+00:00.

Observation 782d7818-c175-49b7-b716-6a3cb7c1d2bf · outbound

This paper cites M.; Thiel, W., QM/MM methods for biomolecular systems.

NepoIP/MM: Towards Accurate Biomolecular Simulation with a Machine Learning/Molecular Mechanics Model Incorporating Polarization Effects M.; Thiel, W., QM/MM methods for biomolecular systems

Reference 19

Resolution: verified fuzzy; raw_fallback, observed 2026-08-09T11:08:32.743498Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-10T06:31:04.303077+00:00.

Observation a776f38d-12d5-441f-a9a9-b95fb7159f95 · outbound

This paper cites an unresolved cited work.

NepoIP/MM: Towards Accurate Biomolecular Simulation with a Machine Learning/Molecular Mechanics Model Incorporating Polarization Effects Unresolved cited work

Reference 20

Resolution: unresolved; raw_fallback, observed 2026-08-09T11:08:32.733114Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-10T06:31:04.303077+00:00.

Observation 92207d7d-3cb6-4e8f-a3b4-db73ef9b750b · outbound

This paper cites L., Advances in quantum and molecular mechanical (QM/MM) simulations for organic and enzymatic reactions.

NepoIP/MM: Towards Accurate Biomolecular Simulation with a Machine Learning/Molecular Mechanics Model Incorporating Polarization Effects L., Advances in quantum and molecular mechanical (QM/MM) simulations for organic and enzymatic reactions

Reference 21

Resolution: verified fuzzy; raw_fallback, observed 2026-08-09T11:08:32.724143Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-10T06:31:04.303077+00:00.

Observation 12a8065f-5ff1-4029-9051-4e209d6c4b42 · outbound

This paper cites an unresolved cited work.

NepoIP/MM: Towards Accurate Biomolecular Simulation with a Machine Learning/Molecular Mechanics Model Incorporating Polarization Effects Unresolved cited work

Reference 22

Resolution: unresolved; raw_fallback, observed 2026-08-09T11:08:32.714482Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-10T06:31:04.303077+00:00.

Observation 51839cd2-d2f5-487e-b54b-a4117dd12c74 · outbound

This paper cites an unresolved cited work.

NepoIP/MM: Towards Accurate Biomolecular Simulation with a Machine Learning/Molecular Mechanics Model Incorporating Polarization Effects Unresolved cited work

Reference 23

Resolution: unresolved; raw_fallback, observed 2026-08-09T11:08:32.688339Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-10T06:31:04.303077+00:00.

Observation 48dc2bb5-91c5-4700-85b0-fd31b4cbf08d · outbound

This paper cites S.; Isayev, O.; Roitberg, A.

NepoIP/MM: Towards Accurate Biomolecular Simulation with a Machine Learning/Molecular Mechanics Model Incorporating Polarization Effects S.; Isayev, O.; Roitberg, A

Reference 24

Resolution: verified fuzzy; raw_fallback, observed 2026-08-09T11:08:32.563050Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-10T06:31:04.303077+00:00.

Observation f590b59e-1b3b-4fc4-8569-43705630dc35 · outbound

This paper cites T.; Sauceda, H.

NepoIP/MM: Towards Accurate Biomolecular Simulation with a Machine Learning/Molecular Mechanics Model Incorporating Polarization Effects T.; Sauceda, H

Reference 25

Resolution: verified fuzzy; raw_fallback, observed 2026-08-09T11:08:32.438470Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-10T06:31:04.303077+00:00.

Observation 695ff273-5b35-4c0e-81c9-f92c1fd8c7f8 · outbound

This paper cites P.; Kornbluth, M.; Molinari, N.; Smidt, T.

NepoIP/MM: Towards Accurate Biomolecular Simulation with a Machine Learning/Molecular Mechanics Model Incorporating Polarization Effects P.; Kornbluth, M.; Molinari, N.; Smidt, T

Reference 26

Resolution: verified fuzzy; raw_fallback, observed 2026-08-09T11:08:32.312301Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-10T06:31:04.303077+00:00.

Observation 6251316e-86cb-4c23-bdce-0d80139856ad · outbound

This paper cites Stability-Aware Training of Machine Learning Force Fields with Differentiable Boltzmann Estimators.

NepoIP/MM: Towards Accurate Biomolecular Simulation with a Machine Learning/Molecular Mechanics Model Incorporating Polarization Effects Stability-Aware Training of Machine Learning Force Fields with Differentiable Boltzmann Estimators

Reference 27

Resolution: unresolved; no resolver link, observed 2026-08-09T11:08:29.822868Z

Source-reported events for the cited work

Unavailable: canonical work link unavailable.

Observation 0f1540c0-ee49-406e-868a-8cba887aec4f · outbound

This paper cites - Y ., Enhancing geometric representations for molecules with equivariant vector - scalar interactive message passing.

NepoIP/MM: Towards Accurate Biomolecular Simulation with a Machine Learning/Molecular Mechanics Model Incorporating Polarization Effects - Y ., Enhancing geometric representations for molecules with equivariant vector - scalar interactive message passing

Reference 28

Resolution: verified fuzzy; raw_fallback, observed 2026-08-09T11:08:32.301507Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-10T06:31:04.303077+00:00.

Observation 4c8c141b-0d3a-4d91-bded-4f50c3f80d8e · outbound

This paper cites an unresolved cited work.

NepoIP/MM: Towards Accurate Biomolecular Simulation with a Machine Learning/Molecular Mechanics Model Incorporating Polarization Effects Unresolved cited work

Reference 29

Resolution: unresolved; raw_fallback, observed 2026-08-09T11:08:32.290422Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-10T06:31:04.303077+00:00.

Observation e7f7e855-cd41-49d2-967f-39f53a69fe11 · outbound

This paper cites O., Quantum Chemistry in the Age of Machine Learning.

NepoIP/MM: Towards Accurate Biomolecular Simulation with a Machine Learning/Molecular Mechanics Model Incorporating Polarization Effects O., Quantum Chemistry in the Age of Machine Learning

Reference 30

Resolution: verified fuzzy; raw_fallback, observed 2026-08-09T11:08:32.281658Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-10T06:31:04.303077+00:00.

Observation 8a0c3c7a-d310-4bb2-93fa-7b9a30f421d2 · outbound

This paper cites On the design space between molecular mechanics and machine learning force fields.

NepoIP/MM: Towards Accurate Biomolecular Simulation with a Machine Learning/Molecular Mechanics Model Incorporating Polarization Effects On the design space between molecular mechanics and machine learning force fields

Reference 31

Resolution: unresolved; no resolver link, observed 2026-08-09T11:08:29.835578Z

Source-reported events for the cited work

Unavailable: canonical work link unavailable.

Observation 14118850-69ee-4398-9f12-6d80be7b53e9 · outbound

This paper cites Forces are not Enough: Benchmark and Critical Evaluation for Machine Learning Force Fields with Molecular Simulations.

NepoIP/MM: Towards Accurate Biomolecular Simulation with a Machine Learning/Molecular Mechanics Model Incorporating Polarization Effects Forces are not Enough: Benchmark and Critical Evaluation for Machine Learning Force Fields with Molecular Simulations

Reference 32

Resolution: unresolved; no resolver link, observed 2026-08-09T11:08:29.838855Z

Source-reported events for the cited work

Unavailable: canonical work link unavailable.

Observation 930cd899-e5d4-4afd-87c3-d24f53c71d45 · outbound

This paper cites S.; Pickering, I.; Roitberg, A.

NepoIP/MM: Towards Accurate Biomolecular Simulation with a Machine Learning/Molecular Mechanics Model Incorporating Polarization Effects S.; Pickering, I.; Roitberg, A

Reference 33

Resolution: verified fuzzy; raw_fallback, observed 2026-08-09T11:08:32.272316Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-10T06:31:04.303077+00:00.

Observation 1b59a942-2b23-4f16-985d-f38b291601b0 · outbound

This paper cites E.; Chodera, J.

NepoIP/MM: Towards Accurate Biomolecular Simulation with a Machine Learning/Molecular Mechanics Model Incorporating Polarization Effects E.; Chodera, J

Reference 34

Resolution: verified fuzzy; raw_fallback, observed 2026-08-09T11:08:32.261429Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-10T06:31:04.303077+00:00.

Observation df072bd3-2a4d-4376-a90a-3136b05ea50b · outbound

This paper cites an unresolved cited work.

NepoIP/MM: Towards Accurate Biomolecular Simulation with a Machine Learning/Molecular Mechanics Model Incorporating Polarization Effects Unresolved cited work

Reference 35

Resolution: unresolved; raw_fallback, observed 2026-08-09T11:08:32.133709Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-10T06:31:04.303077+00:00.

Observation 929a736e-2e27-490c-8088-0a7d092faffb · outbound

This paper cites I.; Cieplak, P.; Cornell, W.; Kollman, P.

NepoIP/MM: Towards Accurate Biomolecular Simulation with a Machine Learning/Molecular Mechanics Model Incorporating Polarization Effects I.; Cieplak, P.; Cornell, W.; Kollman, P

Reference 36

Resolution: verified fuzzy; raw_fallback, observed 2026-08-09T11:08:32.037423Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-10T06:31:04.303077+00:00.

Observation f938e7cc-584a-48e6-8b3e-7984e10696b2 · outbound

This paper cites an unresolved cited work.

NepoIP/MM: Towards Accurate Biomolecular Simulation with a Machine Learning/Molecular Mechanics Model Incorporating Polarization Effects Unresolved cited work

Reference 37

Resolution: unresolved; raw_fallback, observed 2026-08-09T11:08:32.027953Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-10T06:31:04.303077+00:00.

Observation 15726c84-6406-41dd-89cb-d7eed611d323 · outbound

This paper cites G., QM/MM: what have we learned, where are we, and where do we go from here? Theor.

NepoIP/MM: Towards Accurate Biomolecular Simulation with a Machine Learning/Molecular Mechanics Model Incorporating Polarization Effects G., QM/MM: what have we learned, where are we, and where do we go from here? Theor

Reference 38

Resolution: verified fuzzy; raw_fallback, observed 2026-08-09T11:08:32.019246Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-10T06:31:04.303077+00:00.

Observation 2561fee2-ac06-49a8-bca9-ef6188aa6391 · outbound

This paper cites J.; Ekesan, Ş.; York, D.

NepoIP/MM: Towards Accurate Biomolecular Simulation with a Machine Learning/Molecular Mechanics Model Incorporating Polarization Effects J.; Ekesan, Ş.; York, D

Reference 39

Resolution: verified fuzzy; raw_fallback, observed 2026-08-09T11:08:32.009719Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-10T06:31:04.303077+00:00.

Observation 1dcf899c-2667-41d5-b7bc-2acd364805a0 · outbound

This paper cites J.; Zeng, J.; Ekesan, Ş.; York, D.

NepoIP/MM: Towards Accurate Biomolecular Simulation with a Machine Learning/Molecular Mechanics Model Incorporating Polarization Effects J.; Zeng, J.; Ekesan, Ş.; York, D

Reference 40

Resolution: verified fuzzy; raw_fallback, observed 2026-08-09T11:08:31.999112Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-10T06:31:04.303077+00:00.

Observation 3595c4d7-9fb6-4bfb-94ed-cb9f2c386321 · outbound

This paper cites an unresolved cited work.

NepoIP/MM: Towards Accurate Biomolecular Simulation with a Machine Learning/Molecular Mechanics Model Incorporating Polarization Effects Unresolved cited work

Reference 41

Resolution: unresolved; raw_fallback, observed 2026-08-09T11:08:31.990355Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-10T06:31:04.303077+00:00.

Observation 3e74c37e-7c42-47cd-9ad0-0f00921b6ef3 · outbound

This paper cites an unresolved cited work.

NepoIP/MM: Towards Accurate Biomolecular Simulation with a Machine Learning/Molecular Mechanics Model Incorporating Polarization Effects Unresolved cited work

Reference 42

Resolution: unresolved; raw_fallback, observed 2026-08-09T11:08:31.923138Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-10T06:31:04.303077+00:00.

Observation 7e084e81-a5cf-4fee-8f32-679297aa994b · outbound

This paper cites T.; Müller, K.

NepoIP/MM: Towards Accurate Biomolecular Simulation with a Machine Learning/Molecular Mechanics Model Incorporating Polarization Effects T.; Müller, K

Reference 43

Resolution: verified fuzzy; raw_fallback, observed 2026-08-09T11:08:31.791580Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-10T06:31:04.303077+00:00.

Observation e50b21fb-c261-45d6-aaac-ca8ee081759d · outbound

This paper cites an unresolved cited work.

NepoIP/MM: Towards Accurate Biomolecular Simulation with a Machine Learning/Molecular Mechanics Model Incorporating Polarization Effects Unresolved cited work

Reference 44

Resolution: unresolved; raw_fallback, observed 2026-08-09T11:08:31.715607Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-10T06:31:04.303077+00:00.

Observation 6dc3ee80-fe5d-4646-9ef3-03a6150fa800 · outbound

This paper cites Neural Network Potential with Multi-Resolution Approach Enables Accurate Prediction of Reaction Free Energies in Solution.

NepoIP/MM: Towards Accurate Biomolecular Simulation with a Machine Learning/Molecular Mechanics Model Incorporating Polarization Effects Neural Network Potential with Multi-Resolution Approach Enables Accurate Prediction of Reaction Free Energies in Solution

Reference 45

Resolution: verified exact; local_arxiv, observed 2026-08-09T11:08:30.625212Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-10T06:31:04.303077+00:00.

Observation 0274a394-750b-40e8-aec4-3bf4085064d4 · outbound

This paper cites an unresolved cited work.

NepoIP/MM: Towards Accurate Biomolecular Simulation with a Machine Learning/Molecular Mechanics Model Incorporating Polarization Effects Unresolved cited work

Reference 46

Resolution: unresolved; raw_fallback, observed 2026-08-09T11:08:31.615349Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-10T06:31:04.303077+00:00.

Observation 3a2d7740-be6d-4025-aefd-c6d307c7c399 · outbound

This paper cites W., emle - engine: A Flexible Electrostatic Machine Learning Embedding Package for Multiscale Molecular Dynamics Simulations.

NepoIP/MM: Towards Accurate Biomolecular Simulation with a Machine Learning/Molecular Mechanics Model Incorporating Polarization Effects W., emle - engine: A Flexible Electrostatic Machine Learning Embedding Package for Multiscale Molecular Dynamics Simulations

Reference 47

Resolution: verified fuzzy; raw_fallback, observed 2026-08-09T11:08:31.602398Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-10T06:31:04.303077+00:00.

Observation 8cc634e5-41f4-4d54-8da8-f6a9406dd9a0 · outbound

This paper cites A.; Ignacio, P.; Huddleston, K.

NepoIP/MM: Towards Accurate Biomolecular Simulation with a Machine Learning/Molecular Mechanics Model Incorporating Polarization Effects A.; Ignacio, P.; Huddleston, K

Reference 48

Resolution: verified fuzzy; raw_fallback, observed 2026-08-09T11:08:31.592890Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-10T06:31:04.303077+00:00.

Observation baabdf16-1ccb-44c2-8847-e1dc78fc5c55 · outbound

This paper cites an unresolved cited work.

NepoIP/MM: Towards Accurate Biomolecular Simulation with a Machine Learning/Molecular Mechanics Model Incorporating Polarization Effects Unresolved cited work

Reference 49

Resolution: unresolved; raw_fallback, observed 2026-08-09T11:08:31.582859Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-10T06:31:04.303077+00:00.

Observation 7f7ba555-99a5-46c0-8ad2-02adf94f46a5 · outbound

This paper cites P .; Abreu, C.

NepoIP/MM: Towards Accurate Biomolecular Simulation with a Machine Learning/Molecular Mechanics Model Incorporating Polarization Effects P .; Abreu, C

Reference 50

Resolution: verified fuzzy; raw_fallback, observed 2026-08-09T11:08:31.572749Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-10T06:31:04.303077+00:00.

Observation c1991d5b-9a75-443d-8474-8651dfbef08c · outbound

This paper cites F.; Wu, Y .; Lemmin, T.; Maxwell, A.

NepoIP/MM: Towards Accurate Biomolecular Simulation with a Machine Learning/Molecular Mechanics Model Incorporating Polarization Effects F.; Wu, Y .; Lemmin, T.; Maxwell, A

Reference 51

Resolution: verified fuzzy; raw_fallback, observed 2026-08-09T11:08:31.562387Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-10T06:31:04.303077+00:00.

Observation b90ec5c0-61c2-4fcc-9928-f65391b47f89 · outbound

This paper cites D.; Cieplak, P.; Bayly, C.

NepoIP/MM: Towards Accurate Biomolecular Simulation with a Machine Learning/Molecular Mechanics Model Incorporating Polarization Effects D.; Cieplak, P.; Bayly, C

Reference 52

Resolution: verified fuzzy; raw_fallback, observed 2026-08-09T11:08:31.552696Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-10T06:31:04.303077+00:00.

Observation f04cf7d8-2792-4705-9138-097c989ed49a · outbound

This paper cites L.; Grubmuller, H.; MacKerell, A.

NepoIP/MM: Towards Accurate Biomolecular Simulation with a Machine Learning/Molecular Mechanics Model Incorporating Polarization Effects L.; Grubmuller, H.; MacKerell, A

Reference 53

Resolution: verified fuzzy; raw_fallback, observed 2026-08-09T11:08:31.542965Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-10T06:31:04.303077+00:00.

Observation b3f889fb-0e11-408c-8eed-ff844f4838a4 · outbound

This paper cites - S.; Bax, A., Determination of φ and χ1 Angles in Proteins from 13C−13C Three - Bond J Couplings Measured by Three - Dimensional Heteronuclear NMR.

NepoIP/MM: Towards Accurate Biomolecular Simulation with a Machine Learning/Molecular Mechanics Model Incorporating Polarization Effects - S.; Bax, A., Determination of φ and χ1 Angles in Proteins from 13C−13C Three - Bond J Couplings Measured by Three - Dimensional Heteronuclear NMR

Reference 54

Resolution: verified fuzzy; raw_fallback, observed 2026-08-09T11:08:31.444743Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-10T06:31:04.303077+00:00.

Observation 9c82b0ae-0571-46f2-a89c-21ed589aa09d · outbound

This paper cites an unresolved cited work.

NepoIP/MM: Towards Accurate Biomolecular Simulation with a Machine Learning/Molecular Mechanics Model Incorporating Polarization Effects Unresolved cited work

Reference 55

Resolution: unresolved; raw_fallback, observed 2026-08-09T11:08:31.290706Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-10T06:31:04.303077+00:00.

Observation f96fa135-437c-4b97-be92-ebf301df2e46 · outbound

This paper cites L.; Chandrasekhar, J.; Madura, J.

NepoIP/MM: Towards Accurate Biomolecular Simulation with a Machine Learning/Molecular Mechanics Model Incorporating Polarization Effects L.; Chandrasekhar, J.; Madura, J

Reference 56

Resolution: verified fuzzy; raw_fallback, observed 2026-08-09T11:08:31.197088Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-10T06:31:04.303077+00:00.

Observation aeeed6f9-ffb6-447b-a430-d0994a177550 · outbound

This paper cites an unresolved cited work.

NepoIP/MM: Towards Accurate Biomolecular Simulation with a Machine Learning/Molecular Mechanics Model Incorporating Polarization Effects Unresolved cited work

Reference 57

Resolution: unresolved; raw_fallback, observed 2026-08-09T11:08:31.187964Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-10T06:31:04.303077+00:00.

Observation d4df8711-7580-48bd-b5c2-53a3b1e4a3be · outbound

This paper cites an unresolved cited work.

NepoIP/MM: Towards Accurate Biomolecular Simulation with a Machine Learning/Molecular Mechanics Model Incorporating Polarization Effects Unresolved cited work

Reference 58

Resolution: unresolved; raw_fallback, observed 2026-08-09T11:08:31.179389Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-10T06:31:04.303077+00:00.

Observation fedda7ed-ebe6-40c0-b971-dd999995d345 · outbound

This paper cites constants.

NepoIP/MM: Towards Accurate Biomolecular Simulation with a Machine Learning/Molecular Mechanics Model Incorporating Polarization Effects constants

Reference 59

Resolution: verified fuzzy; raw_fallback, observed 2026-08-09T11:08:31.170002Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-10T06:31:04.303077+00:00.

Observation 66fd977d-f6f2-4e68-8472-45c80d28fee4 · outbound

This paper cites T., Molecular polarizabilities calculated with a modified dipole interaction.

NepoIP/MM: Towards Accurate Biomolecular Simulation with a Machine Learning/Molecular Mechanics Model Incorporating Polarization Effects T., Molecular polarizabilities calculated with a modified dipole interaction

Reference 60

Resolution: verified fuzzy; raw_fallback, observed 2026-08-09T11:08:31.160661Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-10T06:31:04.303077+00:00.

Observation 1dcb454b-5e18-40e7-a749-bf6be9685070 · outbound

This paper cites - D.; Head - Gordon, M., Long - range corrected hybrid density functionals with damped atom – atom dispersion corrections.

NepoIP/MM: Towards Accurate Biomolecular Simulation with a Machine Learning/Molecular Mechanics Model Incorporating Polarization Effects - D.; Head - Gordon, M., Long - range corrected hybrid density functionals with damped atom – atom dispersion corrections

Reference 61

Resolution: verified fuzzy; raw_fallback, observed 2026-08-09T11:08:31.150405Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-10T06:31:04.303077+00:00.

Observation 7c101e81-83b0-4ebc-97d6-bc8114bb39db · outbound

This paper cites T.; Unke, O.

NepoIP/MM: Towards Accurate Biomolecular Simulation with a Machine Learning/Molecular Mechanics Model Incorporating Polarization Effects T.; Unke, O

Reference 62

Resolution: verified fuzzy; raw_fallback, observed 2026-08-09T11:08:31.140175Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-10T06:31:04.303077+00:00.

Observation b6cd4efc-9278-4eca-9f20-9035e488bb32 · outbound

This paper cites T.; Dou, S.

NepoIP/MM: Towards Accurate Biomolecular Simulation with a Machine Learning/Molecular Mechanics Model Incorporating Polarization Effects T.; Dou, S

Reference 63

Resolution: verified fuzzy; raw_fallback, observed 2026-08-09T11:08:31.130514Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-10T06:31:04.303077+00:00.

Observation 6586b29e-97a6-44e8-b966-bd1e7408ec26 · outbound

This paper cites T.; Stöhr, M.; Ganscha, S.; Unterthiner, T.; Maennel, H.; Kashubin, S.; Ahlin, D.; Gastegger, M.; Medrano Sandonas, L.; Berryman, J.

NepoIP/MM: Towards Accurate Biomolecular Simulation with a Machine Learning/Molecular Mechanics Model Incorporating Polarization Effects T.; Stöhr, M.; Ganscha, S.; Unterthiner, T.; Maennel, H.; Kashubin, S.; Ahlin, D.; Gastegger, M.; Medrano Sandonas, L.; Berryman, J

Reference 64

Resolution: verified fuzzy; raw_fallback, observed 2026-08-09T11:08:31.037348Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-10T06:31:04.303077+00:00.

Observation fbd0df59-89f7-4acd-86f6-6ba398cb736b · outbound

This paper cites an unresolved cited work.

NepoIP/MM: Towards Accurate Biomolecular Simulation with a Machine Learning/Molecular Mechanics Model Incorporating Polarization Effects Unresolved cited work

Reference 65

Resolution: unresolved; raw_fallback, observed 2026-08-09T11:08:30.893581Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-10T06:31:04.303077+00:00.

Observation 6ea6f424-9100-46ce-aa00-d954a9e9779e · outbound

This paper cites - Y ., Ab initio characterization of protein molecular dynamics with AI2BMD.

NepoIP/MM: Towards Accurate Biomolecular Simulation with a Machine Learning/Molecular Mechanics Model Incorporating Polarization Effects - Y ., Ab initio characterization of protein molecular dynamics with AI2BMD

Reference 66

Resolution: verified fuzzy; raw_fallback, observed 2026-08-09T11:08:30.795054Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-10T06:31:04.303077+00:00.

Observation c677e5e5-41f3-43ec-9672-6dc71d15818c · outbound

This paper cites W.; Ren, P., Polarizable Atomic Multipole - Based AMOEBA Force Field for Proteins.

NepoIP/MM: Towards Accurate Biomolecular Simulation with a Machine Learning/Molecular Mechanics Model Incorporating Polarization Effects W.; Ren, P., Polarizable Atomic Multipole - Based AMOEBA Force Field for Proteins

Reference 67

Resolution: verified fuzzy; raw_fallback, observed 2026-08-09T11:08:30.782996Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-10T06:31:04.303077+00:00.

Observation 22c48d43-0454-427c-a31a-fa12eebd7639 · outbound

This paper cites an unresolved cited work.

NepoIP/MM: Towards Accurate Biomolecular Simulation with a Machine Learning/Molecular Mechanics Model Incorporating Polarization Effects Unresolved cited work

Reference 68

Resolution: unresolved; raw_fallback, observed 2026-08-09T11:08:30.772310Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-10T06:31:04.303077+00:00.

Observation 76d47b8c-199d-4b6c-b0e5-faf67c346b4d · outbound

This paper cites J.; Bash, P.

NepoIP/MM: Towards Accurate Biomolecular Simulation with a Machine Learning/Molecular Mechanics Model Incorporating Polarization Effects J.; Bash, P

Reference 69

Resolution: verified fuzzy; raw_fallback, observed 2026-08-09T11:08:30.751104Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-10T06:31:04.303077+00:00.

Observation 7b8c99a9-9a8c-4055-96be-668fd4b5e926 · outbound

This paper cites an unresolved cited work.

NepoIP/MM: Towards Accurate Biomolecular Simulation with a Machine Learning/Molecular Mechanics Model Incorporating Polarization Effects Unresolved cited work

Reference 70

Resolution: unresolved; raw_fallback, observed 2026-08-09T11:08:30.740344Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-10T06:31:04.303077+00:00.

Observation 1e488d28-8d08-463f-a21c-7dc15628da55 · outbound

This paper cites This computation of external electrostatic potential in periodic ML/MM system s is implemented in the OpenMM - Torch API using PyTorch as the programming framework.

NepoIP/MM: Towards Accurate Biomolecular Simulation with a Machine Learning/Molecular Mechanics Model Incorporating Polarization Effects This computation of external electrostatic potential in periodic ML/MM system s is implemented in the OpenMM - Torch API using PyTorch as the programming framework

Reference 71

Resolution: verified fuzzy; raw_fallback, observed 2026-08-09T11:08:30.730074Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-10T06:31:04.303077+00:00.

Coverage vector

Reference resolution

Outbound references

Pith citing papers