Assessing the quality of absolute hydration free energies among CHARMM-compatible ligand parameterization schemes
Author:
Publisher
Wiley
Subject
Computational Mathematics,General Chemistry
Link
http://onlinelibrary.wiley.com/wol1/doi/10.1002/jcc.23199/fullpdf
Reference30 articles.
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2. MATCH: An atom-typing toolset for molecular mechanics force fields
3. MMFF VII. Characterization of MMFF94, MMFF94s, and other widely available force fields for conformational energies and for intermolecular-interaction energies and geometries
4. Development and testing of a general amber force field
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