Relative Binding Free Energy Estimation of Congeneric Ligands and Macromolecular Mutants with the Alchemical Transfer with Coordinate Swapping Method | Paper Citation Record

Observation 8af8d705-88d5-4cbf-8ccd-9744e95c54be · outbound

This paper cites L.; Santiago, D.

Relative Binding Free Energy Estimation of Congeneric Ligands and Macromolecular Mutants with the Alchemical Transfer with Coordinate Swapping Method L.; Santiago, D

Reference 1

Resolution: verified fuzzy; raw_fallback, observed 2026-08-10T23:50:59.515884Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-14T06:32:32.682623+00:00.

Observation 65b52b74-12ed-4d1c-adf0-3b2b64189081 · outbound

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

Relative Binding Free Energy Estimation of Congeneric Ligands and Macromolecular Mutants with the Alchemical Transfer with Coordinate Swapping Method K.; Greenwood, J.; Romero, D

Reference 2

Resolution: verified fuzzy; raw_fallback, observed 2026-08-10T23:50:59.501274Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-14T06:32:32.682623+00:00.

Observation b303215b-53d4-434c-8654-34fdc05768ab · outbound

This paper cites Blinded prediction of protein--ligand binding affinity using Amber thermodynamic integration for the 2018 D3R grand challenge 4.

Relative Binding Free Energy Estimation of Congeneric Ligands and Macromolecular Mutants with the Alchemical Transfer with Coordinate Swapping Method Blinded prediction of protein--ligand binding affinity using Amber thermodynamic integration for the 2018 D3R grand challenge 4

Reference 3

Resolution: unresolved; no resolver link, observed 2026-08-10T23:50:58.347234Z

Source-reported events for the cited work

Unavailable: canonical work link unavailable.

Observation 92c61fc6-d8f9-4cec-8da3-ceabdc61d6bb · outbound

This paper cites E.; Baumann, H.; Blum, A.; B\" o se, D.; Buchstaller, H.-P.; Burgdorf, L.; Cappel, D.; Chekler, E.; Czodrowski, P.; Dorsch, D.; I, E.

Relative Binding Free Energy Estimation of Congeneric Ligands and Macromolecular Mutants with the Alchemical Transfer with Coordinate Swapping Method E.; Baumann, H.; Blum, A.; B\" o se, D.; Buchstaller, H.-P.; Burgdorf, L.; Cappel, D.; Chekler, E.; Czodrowski, P.; Dorsch, D.; I, E

Reference 4

Resolution: verified fuzzy; raw_fallback, observed 2026-08-10T23:50:59.476763Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-14T06:32:32.682623+00:00.

Observation 9b251039-2793-4a63-82d9-73b688c7a413 · outbound

This paper cites K.; Giese, T.

Relative Binding Free Energy Estimation of Congeneric Ligands and Macromolecular Mutants with the Alchemical Transfer with Coordinate Swapping Method K.; Giese, T

Reference 5

Resolution: verified fuzzy; raw_fallback, observed 2026-08-10T23:50:59.461545Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-14T06:32:32.682623+00:00.

Observation 15c4bf66-1bd5-4801-8e77-fc902a63e1cb · outbound

This paper cites S.; Mackey, M.; Michel, J.

Relative Binding Free Energy Estimation of Congeneric Ligands and Macromolecular Mutants with the Alchemical Transfer with Coordinate Swapping Method S.; Mackey, M.; Michel, J

Reference 6

Resolution: verified fuzzy; raw_fallback, observed 2026-08-10T23:50:59.446837Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-14T06:32:32.682623+00:00.

Observation ed97c773-2c72-4b28-8a16-584504385855 · outbound

This paper cites an unresolved cited work.

Relative Binding Free Energy Estimation of Congeneric Ligands and Macromolecular Mutants with the Alchemical Transfer with Coordinate Swapping Method Unresolved cited work

Reference 7

Resolution: unresolved; raw_fallback, observed 2026-08-10T23:50:59.431155Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-14T06:32:32.682623+00:00.

Observation 0a834b96-a093-46fd-a203-b9b4cbe56066 · outbound

This paper cites K.; Bhati, A.

Relative Binding Free Energy Estimation of Congeneric Ligands and Macromolecular Mutants with the Alchemical Transfer with Coordinate Swapping Method K.; Bhati, A

Reference 8

Resolution: verified fuzzy; raw_fallback, observed 2026-08-10T23:50:59.413481Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-14T06:32:32.682623+00:00.

Observation d04bd072-6397-484d-b3fe-4f84260c8514 · outbound

This paper cites L.; Bruce Macdonald, H.; Chodera, J.; Gapsys, V.; Mey, A.; Mobley, D.; Perez Benito, L.; Schindler, C.; Tresadern, G.; Warren, G.

Relative Binding Free Energy Estimation of Congeneric Ligands and Macromolecular Mutants with the Alchemical Transfer with Coordinate Swapping Method L.; Bruce Macdonald, H.; Chodera, J.; Gapsys, V.; Mey, A.; Mobley, D.; Perez Benito, L.; Schindler, C.; Tresadern, G.; Warren, G

Reference 9

Resolution: verified fuzzy; raw_fallback, observed 2026-08-10T23:50:59.397678Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-14T06:32:32.682623+00:00.

Observation 6e8cd0a7-ce4b-43a3-ac42-53f1caebe001 · outbound

This paper cites F.; Tresadern, G.; Mobley, D.

Relative Binding Free Energy Estimation of Congeneric Ligands and Macromolecular Mutants with the Alchemical Transfer with Coordinate Swapping Method F.; Tresadern, G.; Mobley, D

Reference 10

Resolution: verified fuzzy; raw_fallback, observed 2026-08-10T23:50:59.381470Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-14T06:32:32.682623+00:00.

Observation 004e6c49-d2b4-44d8-8d3e-1bb13d6f497c · outbound

This paper cites Validation of the Alchemical Transfer Method for the Estimation of Relative Binding Affinities of Molecular Series.

Relative Binding Free Energy Estimation of Congeneric Ligands and Macromolecular Mutants with the Alchemical Transfer with Coordinate Swapping Method Validation of the Alchemical Transfer Method for the Estimation of Relative Binding Affinities of Molecular Series

Reference 11

Resolution: verified fuzzy; raw_fallback, observed 2026-08-10T23:50:59.365433Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-14T06:32:32.682623+00:00.

Observation 51569bdf-30d8-44bd-b7a5-e5c6fe252bd7 · outbound

This paper cites Relative binding free energy calculations in drug discovery: recent advances and practical considerations.

Relative Binding Free Energy Estimation of Congeneric Ligands and Macromolecular Mutants with the Alchemical Transfer with Coordinate Swapping Method Relative binding free energy calculations in drug discovery: recent advances and practical considerations

Reference 12

Resolution: verified fuzzy; raw_fallback, observed 2026-08-10T23:50:59.349822Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-14T06:32:32.682623+00:00.

Observation 62e80612-04fe-4033-a01b-b69fef2970d9 · outbound

This paper cites an unresolved cited work.

Relative Binding Free Energy Estimation of Congeneric Ligands and Macromolecular Mutants with the Alchemical Transfer with Coordinate Swapping Method Unresolved cited work

Reference 13

Resolution: unresolved; no resolver link, observed 2026-08-10T23:50:58.395903Z

Source-reported events for the cited work

Unavailable: canonical work link unavailable.

Observation 1cdd15df-3092-4eba-a337-dadd0a3ec2a6 · outbound

This paper cites an unresolved cited work.

Relative Binding Free Energy Estimation of Congeneric Ligands and Macromolecular Mutants with the Alchemical Transfer with Coordinate Swapping Method Unresolved cited work

Reference 14

Resolution: unresolved; raw_fallback, observed 2026-08-10T23:50:59.325639Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-14T06:32:32.682623+00:00.

Observation ee70774b-ac40-4797-8d0e-2714875ecf4b · outbound

This paper cites Z.; Pal, R.

Relative Binding Free Energy Estimation of Congeneric Ligands and Macromolecular Mutants with the Alchemical Transfer with Coordinate Swapping Method Z.; Pal, R

Reference 15

Resolution: unresolved; no resolver link, observed 2026-08-10T23:50:58.405268Z

Source-reported events for the cited work

Unavailable: canonical work link unavailable.

Observation 7a961a2a-6ae7-4e64-8f7b-0a913c163d4f · outbound

This paper cites K.; Given, J.

Relative Binding Free Energy Estimation of Congeneric Ligands and Macromolecular Mutants with the Alchemical Transfer with Coordinate Swapping Method K.; Given, J

Reference 16

Resolution: verified fuzzy; raw_fallback, observed 2026-08-10T23:50:59.300296Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-14T06:32:32.682623+00:00.

Observation 148975fa-f2c8-42ad-9d3c-ff2223151c6b · outbound

This paper cites L.; Essex, J.

Relative Binding Free Energy Estimation of Congeneric Ligands and Macromolecular Mutants with the Alchemical Transfer with Coordinate Swapping Method L.; Essex, J

Reference 17

Resolution: verified fuzzy; raw_fallback, observed 2026-08-10T23:50:59.285794Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-14T06:32:32.682623+00:00.

Observation a9a481b5-f4f1-42d7-8e66-9c1f1143716f · outbound

This paper cites D.; Hansen, N.; Mark, A.

Relative Binding Free Energy Estimation of Congeneric Ligands and Macromolecular Mutants with the Alchemical Transfer with Coordinate Swapping Method D.; Hansen, N.; Mark, A

Reference 18

Resolution: verified fuzzy; raw_fallback, observed 2026-08-10T23:50:59.271516Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-14T06:32:32.682623+00:00.

Observation b98010b9-b60e-41c1-b616-68579841e617 · outbound

This paper cites an unresolved cited work.

Relative Binding Free Energy Estimation of Congeneric Ligands and Macromolecular Mutants with the Alchemical Transfer with Coordinate Swapping Method Unresolved cited work

Reference 19

Resolution: unresolved; raw_fallback, observed 2026-08-10T23:50:59.256853Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-14T06:32:32.682623+00:00.

Observation b0bf442a-cdf4-40ba-959b-2c981bac7e9c · outbound

This paper cites Dummy atoms in alchemical free energy calculations.

Relative Binding Free Energy Estimation of Congeneric Ligands and Macromolecular Mutants with the Alchemical Transfer with Coordinate Swapping Method Dummy atoms in alchemical free energy calculations

Reference 20

Resolution: verified fuzzy; raw_fallback, observed 2026-08-10T23:50:59.242376Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-14T06:32:32.682623+00:00.

Observation d5db13d1-58b3-4831-9c66-272cea4f8f68 · outbound

This paper cites R.; Mobley, D.

Relative Binding Free Energy Estimation of Congeneric Ligands and Macromolecular Mutants with the Alchemical Transfer with Coordinate Swapping Method R.; Mobley, D

Reference 21

Resolution: verified fuzzy; raw_fallback, observed 2026-08-10T23:50:59.228023Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-14T06:32:32.682623+00:00.

Observation e7384614-4804-4610-aac3-15a9f963505d · outbound

This paper cites J.; Mobley, D.

Relative Binding Free Energy Estimation of Congeneric Ligands and Macromolecular Mutants with the Alchemical Transfer with Coordinate Swapping Method J.; Mobley, D

Reference 22

Resolution: verified fuzzy; raw_fallback, observed 2026-08-10T23:50:59.213098Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-14T06:32:32.682623+00:00.

Observation 5372cdcb-1683-4710-a7e6-97f6ffbc109d · outbound

This paper cites D.; Markland, T.

Relative Binding Free Energy Estimation of Congeneric Ligands and Macromolecular Mutants with the Alchemical Transfer with Coordinate Swapping Method D.; Markland, T

Reference 23

Resolution: verified fuzzy; raw_fallback, observed 2026-08-10T23:50:59.198898Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-14T06:32:32.682623+00:00.

Observation f51d7d55-1806-476a-a3fa-c00f189fd1ae · outbound

This paper cites Lead Optimization Mapper: Automating free energy calculations for lead optimization.

Relative Binding Free Energy Estimation of Congeneric Ligands and Macromolecular Mutants with the Alchemical Transfer with Coordinate Swapping Method Lead Optimization Mapper: Automating free energy calculations for lead optimization

Reference 24

Resolution: verified fuzzy; raw_fallback, observed 2026-08-10T23:50:59.182918Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-14T06:32:32.682623+00:00.

Observation ecf9e0f3-afda-4113-a6bf-d3e86f672b5e · outbound

This paper cites N.; Wandschneider, D.; Beachy, M.; Friesner, R.

Relative Binding Free Energy Estimation of Congeneric Ligands and Macromolecular Mutants with the Alchemical Transfer with Coordinate Swapping Method N.; Wandschneider, D.; Beachy, M.; Friesner, R

Reference 25

Resolution: verified fuzzy; raw_fallback, observed 2026-08-10T23:50:59.167724Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-14T06:32:32.682623+00:00.

Observation a1c2159e-6ff2-4cdd-b115-269d73db4663 · outbound

This paper cites Z.; Sohail, N.; Hayes, R.

Relative Binding Free Energy Estimation of Congeneric Ligands and Macromolecular Mutants with the Alchemical Transfer with Coordinate Swapping Method Z.; Sohail, N.; Hayes, R

Reference 26

Resolution: verified fuzzy; raw_fallback, observed 2026-08-10T23:50:59.153382Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-14T06:32:32.682623+00:00.

Observation 9f31febc-8fa3-4ee3-a2c3-444503b7b797 · outbound

This paper cites P.; Yang, M.; Simmerling, C.

Relative Binding Free Energy Estimation of Congeneric Ligands and Macromolecular Mutants with the Alchemical Transfer with Coordinate Swapping Method P.; Yang, M.; Simmerling, C

Reference 27

Resolution: verified fuzzy; raw_fallback, observed 2026-08-10T23:50:59.139025Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-14T06:32:32.682623+00:00.

Observation d4e06f8a-085f-48de-a0b4-9956d1cacd5c · outbound

This paper cites Performance and Analysis of the Alchemical Transfer Method for Binding-Free-Energy Predictions of Diverse Ligands.

Relative Binding Free Energy Estimation of Congeneric Ligands and Macromolecular Mutants with the Alchemical Transfer with Coordinate Swapping Method Performance and Analysis of the Alchemical Transfer Method for Binding-Free-Energy Predictions of Diverse Ligands

Reference 28

Resolution: verified fuzzy; raw_fallback, observed 2026-08-10T23:50:59.123865Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-14T06:32:32.682623+00:00.

Observation 5da20ccf-6333-4a0b-be97-e18d458f006b · outbound

This paper cites P.; Abreu, C.

Relative Binding Free Energy Estimation of Congeneric Ligands and Macromolecular Mutants with the Alchemical Transfer with Coordinate Swapping Method P.; Abreu, C

Reference 29

Resolution: verified fuzzy; raw_fallback, observed 2026-08-10T23:50:59.107797Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-14T06:32:32.682623+00:00.

Observation 7c967642-3479-4c8b-9dc8-ef8e18febba4 · outbound

This paper cites https://github.com/Gallicchio-Lab/AToM-OpenMM, 2024.

Relative Binding Free Energy Estimation of Congeneric Ligands and Macromolecular Mutants with the Alchemical Transfer with Coordinate Swapping Method https://github.com/Gallicchio-Lab/AToM-OpenMM, 2024

Reference 30

Resolution: verified fuzzy; raw_fallback, observed 2026-08-10T23:50:59.091486Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-14T06:32:32.682623+00:00.

Observation 674037c9-2a2f-4de9-864f-29c5c5c1f045 · outbound

This paper cites What to Make of Zero: Resolving the Statistical Noise from Conformational Reorganization in Alchemical Binding Free Energy Estimates with Metadynamics Sampling.

Relative Binding Free Energy Estimation of Congeneric Ligands and Macromolecular Mutants with the Alchemical Transfer with Coordinate Swapping Method What to Make of Zero: Resolving the Statistical Noise from Conformational Reorganization in Alchemical Binding Free Energy Estimates with Metadynamics Sampling

Reference 31

Resolution: verified fuzzy; raw_fallback, observed 2026-08-10T23:50:59.076677Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-14T06:32:32.682623+00:00.

Observation 84cea0e1-6992-41b3-8f1f-42c71e7cd9b9 · outbound

This paper cites Z.; Dick, S.; Wu, C.; Xu, H.; Gallicchio, E.

Relative Binding Free Energy Estimation of Congeneric Ligands and Macromolecular Mutants with the Alchemical Transfer with Coordinate Swapping Method Z.; Dick, S.; Wu, C.; Xu, H.; Gallicchio, E

Reference 32

Resolution: verified fuzzy; raw_fallback, observed 2026-08-10T23:50:59.061371Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-14T06:32:32.682623+00:00.

Observation dd2d4230-9417-4c29-99d0-cb6b457716f1 · outbound

This paper cites Binding Selectivity Analysis from Alchemical Receptor Hopping and Swapping Free Energy Calculations.

Relative Binding Free Energy Estimation of Congeneric Ligands and Macromolecular Mutants with the Alchemical Transfer with Coordinate Swapping Method Binding Selectivity Analysis from Alchemical Receptor Hopping and Swapping Free Energy Calculations

Reference 33

Resolution: verified fuzzy; raw_fallback, observed 2026-08-10T23:50:59.045905Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-14T06:32:32.682623+00:00.

Observation f92afbfc-c90d-4fa7-8c35-2fc1cb4ddf00 · outbound

This paper cites K.; Gallicchio, E.

Relative Binding Free Energy Estimation of Congeneric Ligands and Macromolecular Mutants with the Alchemical Transfer with Coordinate Swapping Method K.; Gallicchio, E

Reference 34

Resolution: verified fuzzy; raw_fallback, observed 2026-08-10T23:50:59.030882Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-14T06:32:32.682623+00:00.

Observation 829381c8-2fb9-44e1-9290-c20dc72b7b5c · outbound

This paper cites Z.; Gallicchio, E.

Relative Binding Free Energy Estimation of Congeneric Ligands and Macromolecular Mutants with the Alchemical Transfer with Coordinate Swapping Method Z.; Gallicchio, E

Reference 35

Resolution: verified fuzzy; raw_fallback, observed 2026-08-10T23:50:59.015715Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-14T06:32:32.682623+00:00.

Observation 04b2fb78-c9d3-4bb8-aaa6-41ee8f1ae843 · outbound

This paper cites S.; Chang, C.; Driscoll, J.; others Lead identification of novel and selective TYK2 inhibitors.

Relative Binding Free Energy Estimation of Congeneric Ligands and Macromolecular Mutants with the Alchemical Transfer with Coordinate Swapping Method S.; Chang, C.; Driscoll, J.; others Lead identification of novel and selective TYK2 inhibitors

Reference 36

Resolution: verified fuzzy; raw_fallback, observed 2026-08-10T23:50:59.000690Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-14T06:32:32.682623+00:00.

Observation 259c3f16-90be-46e7-b154-62420299b0d9 · outbound

This paper cites an unresolved cited work.

Relative Binding Free Energy Estimation of Congeneric Ligands and Macromolecular Mutants with the Alchemical Transfer with Coordinate Swapping Method Unresolved cited work

Reference 37

Resolution: unresolved; raw_fallback, observed 2026-08-10T23:50:58.986402Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-14T06:32:32.682623+00:00.

Observation 64e9ab0b-667e-4cda-a15d-89e0a729db53 · outbound

This paper cites A.; Lu, C.; Scarabelli, G.; Albanese, S.

Relative Binding Free Energy Estimation of Congeneric Ligands and Macromolecular Mutants with the Alchemical Transfer with Coordinate Swapping Method A.; Lu, C.; Scarabelli, G.; Albanese, S

Reference 38

Resolution: verified fuzzy; raw_fallback, observed 2026-08-10T23:50:58.970893Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-14T06:32:32.682623+00:00.

Observation b008a81b-88e2-49f9-b744-ec9b1e8d2bb7 · outbound

This paper cites an unresolved cited work.

Relative Binding Free Energy Estimation of Congeneric Ligands and Macromolecular Mutants with the Alchemical Transfer with Coordinate Swapping Method Unresolved cited work

Reference 39

Resolution: unresolved; raw_fallback, observed 2026-08-10T23:50:58.954673Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-14T06:32:32.682623+00:00.

Observation 03c31aa8-5d16-47fc-a711-f4ed1afd492f · outbound

This paper cites R.; Hard, R.

Relative Binding Free Energy Estimation of Congeneric Ligands and Macromolecular Mutants with the Alchemical Transfer with Coordinate Swapping Method R.; Hard, R

Reference 40

Resolution: verified fuzzy; raw_fallback, observed 2026-08-10T23:50:58.939296Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-14T06:32:32.682623+00:00.

Observation a0f3113d-875e-41a5-807a-4a2bf4acf35d · outbound

This paper cites R.; Murray, A.

Relative Binding Free Energy Estimation of Congeneric Ligands and Macromolecular Mutants with the Alchemical Transfer with Coordinate Swapping Method R.; Murray, A

Reference 41

Resolution: verified fuzzy; raw_fallback, observed 2026-08-10T23:50:58.923546Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-14T06:32:32.682623+00:00.

Observation fed682dd-7fdf-4c4e-ae3c-6fdddd39365a · outbound

This paper cites J.; Simonson, T.

Relative Binding Free Energy Estimation of Congeneric Ligands and Macromolecular Mutants with the Alchemical Transfer with Coordinate Swapping Method J.; Simonson, T

Reference 42

Resolution: verified fuzzy; raw_fallback, observed 2026-08-10T23:50:58.908489Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-14T06:32:32.682623+00:00.

Observation 0b4de695-87c7-4e23-abb9-eedfce24dd14 · outbound

This paper cites an unresolved cited work.

Relative Binding Free Energy Estimation of Congeneric Ligands and Macromolecular Mutants with the Alchemical Transfer with Coordinate Swapping Method Unresolved cited work

Reference 43

Resolution: unresolved; raw_fallback, observed 2026-08-10T23:50:58.893112Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-14T06:32:32.682623+00:00.

Observation 661c9fca-98a8-4554-b70f-75f7bab1868e · outbound

This paper cites A.; Martinez, C.; Kasavajhala, K.; Wickstrom, L.; Hauser, K.

Relative Binding Free Energy Estimation of Congeneric Ligands and Macromolecular Mutants with the Alchemical Transfer with Coordinate Swapping Method A.; Martinez, C.; Kasavajhala, K.; Wickstrom, L.; Hauser, K

Reference 44

Resolution: verified fuzzy; raw_fallback, observed 2026-08-10T23:50:58.878186Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-14T06:32:32.682623+00:00.

Observation b516beeb-3389-458b-b407-04ab7d9d82aa · outbound

This paper cites K.; Madin, O.

Relative Binding Free Energy Estimation of Congeneric Ligands and Macromolecular Mutants with the Alchemical Transfer with Coordinate Swapping Method K.; Madin, O

Reference 45

Resolution: verified fuzzy; raw_fallback, observed 2026-08-10T23:50:58.861734Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-14T06:32:32.682623+00:00.

Observation 121fbc30-3a45-4cbb-a9f1-ce79fa1dbd1e · outbound

This paper cites an unresolved cited work.

Relative Binding Free Energy Estimation of Congeneric Ligands and Macromolecular Mutants with the Alchemical Transfer with Coordinate Swapping Method Unresolved cited work

Reference 46

Resolution: unresolved; raw_fallback, observed 2026-08-10T23:50:58.845435Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-14T06:32:32.682623+00:00.

Observation 20930f97-efc3-4193-b306-c2b8db5eb94b · outbound

This paper cites F.; Zhang, B.; Samlalsingh, S.; Mentes, A.; Levy, R.

Relative Binding Free Energy Estimation of Congeneric Ligands and Macromolecular Mutants with the Alchemical Transfer with Coordinate Swapping Method F.; Zhang, B.; Samlalsingh, S.; Mentes, A.; Levy, R

Reference 47

Resolution: verified fuzzy; raw_fallback, observed 2026-08-10T23:50:58.829361Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-14T06:32:32.682623+00:00.

Observation 0611c26d-1f8f-4ea4-be22-28fd4c266413 · outbound

This paper cites an unresolved cited work.

Relative Binding Free Energy Estimation of Congeneric Ligands and Macromolecular Mutants with the Alchemical Transfer with Coordinate Swapping Method Unresolved cited work

Reference 48

Resolution: unresolved; raw_fallback, observed 2026-08-10T23:50:58.812582Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-14T06:32:32.682623+00:00.

Observation 98f52642-382c-47eb-8ef0-488f726b8ceb · outbound

This paper cites an unresolved cited work.

Relative Binding Free Energy Estimation of Congeneric Ligands and Macromolecular Mutants with the Alchemical Transfer with Coordinate Swapping Method Unresolved cited work

Reference 49

Resolution: parse uncertain; raw_fallback, observed 2026-08-10T23:50:58.796658Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-14T06:32:32.682623+00:00.

Observation ee432208-20a2-4b3f-b3a5-219d4ee4c58b · outbound

This paper cites J.; Fuentes, E.

Relative Binding Free Energy Estimation of Congeneric Ligands and Macromolecular Mutants with the Alchemical Transfer with Coordinate Swapping Method J.; Fuentes, E

Reference 50

Resolution: verified fuzzy; raw_fallback, observed 2026-08-10T23:50:58.780506Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-14T06:32:32.682623+00:00.

Observation 4742d391-fa64-4d95-8046-de577a078eb6 · outbound

This paper cites Solvation free energies via alchemical simulations: let's get honest about sampling, once more.

Relative Binding Free Energy Estimation of Congeneric Ligands and Macromolecular Mutants with the Alchemical Transfer with Coordinate Swapping Method Solvation free energies via alchemical simulations: let's get honest about sampling, once more

Reference 51

Resolution: verified fuzzy; raw_fallback, observed 2026-08-10T23:50:58.765375Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-14T06:32:32.682623+00:00.

Observation 50e915a5-ecfa-4723-8eb7-73d7a972a886 · outbound

This paper cites In Computational Peptide Science: Methods and Protocols; Simonson, T., Ed.; Methods in Molecular Biology; Springer Nature, 2022; pp 303--334.

Relative Binding Free Energy Estimation of Congeneric Ligands and Macromolecular Mutants with the Alchemical Transfer with Coordinate Swapping Method In Computational Peptide Science: Methods and Protocols; Simonson, T., Ed.; Methods in Molecular Biology; Springer Nature, 2022; pp 303--334

Reference 52

Resolution: verified fuzzy; raw_fallback, observed 2026-08-10T23:50:58.750213Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-14T06:32:32.682623+00:00.

Observation 579ecad9-81a7-4807-bc88-d291aa055841 · outbound

This paper cites an unresolved cited work.

Relative Binding Free Energy Estimation of Congeneric Ligands and Macromolecular Mutants with the Alchemical Transfer with Coordinate Swapping Method Unresolved cited work

Reference 53

Resolution: unresolved; raw_fallback, observed 2026-08-10T23:50:58.733413Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-14T06:32:32.682623+00:00.

Observation 827a0e9c-ee9b-4731-a97b-6421a6e54e48 · outbound

This paper cites A.; De Vivo, M.; Mancia, M.

Relative Binding Free Energy Estimation of Congeneric Ligands and Macromolecular Mutants with the Alchemical Transfer with Coordinate Swapping Method A.; De Vivo, M.; Mancia, M

Reference 54

Resolution: verified fuzzy; raw_fallback, observed 2026-08-10T23:50:58.716102Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-14T06:32:32.682623+00:00.

Observation 6b000195-836d-4a3a-8263-442240bf7897 · outbound

This paper cites Targeting RNA with Small Molecules using State-of-the-Art Methods Provides Highly Predictive Affinities of Riboswitch Inhibitors.

Relative Binding Free Energy Estimation of Congeneric Ligands and Macromolecular Mutants with the Alchemical Transfer with Coordinate Swapping Method Targeting RNA with Small Molecules using State-of-the-Art Methods Provides Highly Predictive Affinities of Riboswitch Inhibitors

Reference 55

Resolution: verified exact; doi, observed 2026-08-10T23:50:58.648525Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-14T06:32:32.682623+00:00.

Observation 35a07286-199a-48a8-92dd-ee41404ada82 · outbound

This paper cites Implicit Solvent Models.

Relative Binding Free Energy Estimation of Congeneric Ligands and Macromolecular Mutants with the Alchemical Transfer with Coordinate Swapping Method Implicit Solvent Models

Reference 56

Resolution: verified fuzzy; raw_fallback, observed 2026-08-10T23:50:58.699115Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-14T06:32:32.682623+00:00.

Observation 01367ce2-02c8-47e6-b3e7-7270dbd9135d · outbound

This paper cites Absolute binding free energies: A quantitative approach for their calculation.

Relative Binding Free Energy Estimation of Congeneric Ligands and Macromolecular Mutants with the Alchemical Transfer with Coordinate Swapping Method Absolute binding free energies: A quantitative approach for their calculation

Reference 57

Resolution: verified fuzzy; raw_fallback, observed 2026-08-10T23:50:58.681937Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-14T06:32:32.682623+00:00.

Observation b699d5fd-704b-404c-802e-8eb798adcfa7 · outbound

This paper cites an unresolved cited work.

Relative Binding Free Energy Estimation of Congeneric Ligands and Macromolecular Mutants with the Alchemical Transfer with Coordinate Swapping Method Unresolved cited work

Reference 58

Resolution: unresolved; raw_fallback, observed 2026-08-10T23:50:58.665356Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-14T06:32:32.682623+00:00.

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