Recent progress in general force fields of small molecules
Author:
Funder
National Science Foundation
National Institutes of Health
NIGMS
National Science Foundation Division of Chemistry
Publisher
Elsevier BV
Subject
Molecular Biology,Structural Biology
Reference50 articles.
1. Molecular dynamics simulation for all;Hollingsworth;Neuron,2018
2. Molecular simulation as a computational pharmaceutics tool to predict drug solubility, solubilization processes and partitioning;Hossain;Eur J Pharm Biopharm,2019
3. Protein structure-based drug design: from docking to molecular dynamics;Sledz;Curr Opin Struct Biol,2018
4. An overview of molecular modeling for drug discovery with specific illustrative examples of applications;Aminpour;Molecules,2019
5. A second generation force field for the simulation of proteins, nucleic acids, and organic molecules;Cornell;J Am Chem Soc,1995
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