A semi-implicit solvent model for the simulation of peptides and proteins

Journal of Computational Chemistry

Volumn 25, Issue 8, 2004, Pages 1015-1029

  Basdevant, Nathalie ^a   Borgis, Daniel ^a   Ha Duong, Tap ^a  

^a UNIVERSITÉ D EVRY VAL D ESSONNE   (France)

Author keywords

Macroscopic electrostatic theory; Peptide simulation; Protein simulation; Solvent model

Indexed keywords

CRYSTALLOGRAPHY; ELECTROSTATICS; ENTROPY; FREE ENERGY; HYDRATION; HYDROGEN BONDS; MACROMOLECULES; MATHEMATICAL MODELS; PARAMETER ESTIMATION; SOLVENTS; THERMODYNAMICS; X RAYS;

BIOMOLECULES; PEPTIDE SIMULATION; PROTEIN SIMULATION; SOLVENT MODEL;

PROTEINS;

PANCREATIC RIBONUCLEASE; PEPTIDE; PROTEIN; SOLVENT; TRYPSIN;

ALGORITHM; ANIMAL; ARTICLE; CATTLE; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; ELECTRICITY; STREPTOCOCCUS;

ALGORITHMS; ANIMALS; CATTLE; COMPUTER SIMULATION; ELECTROSTATICS; MODELS, MOLECULAR; PEPTIDES; PROTEINS; RIBONUCLEASE, PANCREATIC; SOLVENTS; STREPTOCOCCUS; TRYPSIN;

EID: 2542491956     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/jcc.20031     Document Type: Article

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