Semiglobal simplex optimization and its application to determining the preferred solvation sites of proteins

Journal of Computational Chemistry

Volumn 23, Issue 3, 2002, Pages 319-334

  Dennis, S ^a   Vajda, S ^a  

^a Boston University   (United States)

Author keywords

Crystallographic water positions; Free energy surface; Poisson Boltzmann electrostatics; Solvation free energy; Streptavidin

Indexed keywords

PROTEIN; SOLVENT; STREPTAVIDIN; WATER;

ALGORITHM; ARTICLE; BINDING SITE; CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; METABOLISM;

ALGORITHMS; BINDING SITES; MODELS, CHEMICAL; MODELS, MOLECULAR; PROTEINS; SOLVENTS; STREPTAVIDIN; WATER;

EID: 0036462492     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/jcc.10026     Document Type: Article

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