Multiple-site ligand binding to flexible macromolecules: Separation of global and local conformational change and an iterative mobile clustering approach

Journal of Computational Chemistry

Volumn 20, Issue 11, 1999, Pages 1091-1111

  Spassov, Velin Z ^a,b   Bashford, Donald ^a  

^a SCRIPPS RESEARCH INSTITUTE   (United States)

^b INSTITUTE OF BIOPHYSICS AND BIOMEDICAL ENGINEERING   (Bulgaria)

Author keywords

Conformational flexibility; Electrostatics; Ligand building; Mean field approximation; Multiple site; p Ka; Titration

Indexed keywords

EID: 0000174762     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/(SICI)1096-987X(199908)20:11<1091::AID-JCC1>3.0.CO;2-3     Document Type: Article

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