First-shell solvation of ion pairs: Correction of systematic errors in implicit solvent models

Journal of Physical Chemistry B

Volumn 108, Issue 21, 2004, Pages 6643-6654

  Yu, Zhiyun ^a   Jacobson, Matthew P ^b   Josovitz, Julia ^c   Rapp, Chaya S ^c   Friesner, Richard A ^a  

^a Och Spine at New York Presbyterian Hospitals   (United States)

^b UNIVERSITY OF CALIFORNIA   (United States)

^c YESHIVA UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AMINO ACIDS; BOUNDARY CONDITIONS; COMPUTER SIMULATION; ELECTROSTATICS; HEURISTIC METHODS; HYDROGEN BONDS; OPTIMIZATION; PERTURBATION TECHNIQUES; PROTEINS; SEPARATION; SOLVENTS;

FREE ENERGY PERTURBATION (FTP); PROTEIN DATA BANK (PDB); SINGLE SIDE CHAIN PREDICTION (SSP); SOLVATION;

FREE ENERGY;

EID: 2942597884     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp037821l     Document Type: Article

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