Open AccessFurther Optimization and Validation of the Classical Drude Polarizable Protein Force Field
Author(s) -
FangYu Lin,
Jing Huang,
Poonam Pandey,
Chetan Rupakheti,
Jing Li,
Benoı̂t Roux,
Alexander D. MacKerell
Publication year - 2020
Publication title -
journal of chemical theory and computation
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 2.001
H-Index - 185
eISSN - 1549-9626
pISSN - 1549-9618
DOI - 10.1021/acs.jctc.0c00057
Subject(s) - polarizability , force field (fiction) , dipole , molecular dynamics , chemistry , dipeptide , chemical physics , dihedral angle , computational chemistry , side chain , drude model , observable , physics , peptide , quantum mechanics , molecule , organic chemistry , hydrogen bond , biochemistry , polymer
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