Comparison of Charge Models for Fixed-Charge Force Fields: Small-Molecule Hydration Free Energies in Explicit Solvent-Reference-Cited by-同舟云学术

Comparison of Charge Models for Fixed-Charge Force Fields: Small-Molecule Hydration Free Energies in Explicit Solvent

Published:2007-02-10 Issue:9 Volume:111 Page:2242-2254
ISSN:1520-6106
Container-title:The Journal of Physical Chemistry B
language:en
Short-container-title:J. Phys. Chem. B

Author:

Mobley David L.¹,Dumont Élise¹,Chodera John D.¹,Dill Ken A.¹

Affiliation:

1. Department of Pharmaceutical Chemistry and Graduate Group in Biophysics, University of California at San Francisco, San Francisco, California 94143, and Laboratoire de Chimie Théorique, Centre National de la Recherche Scientifique UMR 7616, Université Pierre et Marie Curie-CNRS, Box 137, 4 Place Jussieu, 75252 Paris Cedex 05, France

Publisher

American Chemical Society (ACS)

Subject

Materials Chemistry,Surfaces, Coatings and Films,Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp0667442

Reference58 articles.

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3. Camacho, C. J.; Ma, H.; Champ, P. C.Proteins: Struct., Funct., Bioinf.2006,63, 868−877.

4. Assessing Scoring Functions for Protein−Ligand Interactions

5. Physics-Based Scoring of Protein−Ligand Complexes: Enrichment of Known Inhibitors in Large-Scale Virtual Screening

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