CHARMM additive and polarizable force fields for biophysics and computer-aided drug design - Vanommeslaeghe, K.; MacKerell, A.D. (Biochimica et biophysica acta, 2015)
Keywords: Anisotropy; Biophysics; Carbohydrate Conformation; Carbohydrates - chemistry; Computer-Aided Design; Computer-aided drug design; DNA; Drug Design; drugs; Empirical force field; Ligands; lipids; Lipids - chemistry; mechanics; Molecular Docking Simulation; Molecular dynamics; Molecular Dynamics Simulation; Molecular Mechanics; Molecular Structure; Nucleic Acid Conformation; Nucleic Acids - chemistry; Nucleic Acids - metabolism; Pharmaceutical Preparations - chemistry; philosophy; Potential energy function; Protein Conformation; proteins; Proteins - chemistry; Proteins - metabolism; Static Electricity; Structure-Activity Relationship; Surface Properties; Molecular dynamics; Computer-aided drug design; Biophysics; Empirical force field; Potential energy function; Molecular Mechanics