Simultaneous Optimization of Biomolecular Energy Functions on Features from Small Molecules and Macromolecules

Journal of Chemical Theory and Computation

Volumn 12, Issue 12, 2016, Pages 6201-6212

  Park, Hahnbeom ^a,b   Bradley, Philip ^b,c   Greisen, Per ^a,b,d   Liu, Yuan ^a,b,e   Mulligan, Vikram Khipple ^a,b   Kim, David E ^b   Baker, David ^a,b   Dimaio, Frank ^a,b  

^a UNIVERSITY OF WASHINGTON SCHOOL OF MEDICINE   (United States)

^b UNIVERSITY OF WASHINGTON   (United States)

^c USA   (United States)

^d NOVO NORDISK A S   (Denmark)

^e PEKING UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

LIGAND; PROTEIN; PROTEIN BINDING;

CHEMISTRY; HYDROGEN BOND; METABOLISM; MOLECULAR DOCKING; PROTEIN TERTIARY STRUCTURE; STATIC ELECTRICITY; THERMODYNAMICS;

HYDROGEN BONDING; LIGANDS; MOLECULAR DOCKING SIMULATION; PROTEIN BINDING; PROTEIN STRUCTURE, TERTIARY; PROTEINS; STATIC ELECTRICITY; THERMODYNAMICS;

EID: 85006282756     PISSN: 15499618     EISSN: 15499626     Source Type: Journal    
DOI: 10.1021/acs.jctc.6b00819     Document Type: Article

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