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FFParam: Standalone package for CHARMM additive and Drude polarizable force field parametrization of small molecules.

Kumar, Anmol

FFParam: Standalone package for CHARMM additive and Drude polarizable force field parametrization of small molecules. [electronic resource] - Journal of computational chemistry 04 2020 - 958-970 p. digital

Publication Type: Journal Article; Research Support, N.I.H., Extramural

ISSN: 1096-987X

Standard No.: 10.1002/jcc.26138 doi

Subjects--Topical Terms:
Algorithms
Molecular Dynamics Simulation
Molecular Structure
Monte Carlo Method
Small Molecule Libraries--chemistry
Software

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