Martini Mapper automates Martini 3 coarse-grained model creation from SMILES strings for over 6,000 molecules and validates them via transfer free energies and SASA against experimental and atomistic references.
Automated Parametrization of the Coarse-Grained Martini Force Field for Small Organic Molecules
1 Pith paper cite this work. Polarity classification is still indexing.
1
Pith paper citing it
fields
physics.chem-ph 1years
2025 1verdicts
UNVERDICTED 1representative citing papers
citing papers explorer
-
Martini Mapper: An Automated Fragment-Based Framework for Developing Coarse-Grained Models within the Martini 3 Framework
Martini Mapper automates Martini 3 coarse-grained model creation from SMILES strings for over 6,000 molecules and validates them via transfer free energies and SASA against experimental and atomistic references.