Hit identification and binding mode predictions by rigorous free energy simulations

Journal of Medicinal Chemistry

Volumn 51, Issue 21, 2008, Pages 6654-6664

  Michel, Julien ^a,b   Essex, Jonathan W ^a  

^a UNIVERSITY OF SOUTHAMPTON   (United Kingdom)

^b YALE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ESTROGEN RECEPTOR ALPHA;

ARTICLE; BINDING AFFINITY; ENERGY; HIGH THROUGHPUT SCREENING; MATHEMATICAL COMPUTING; MATHEMATICAL MODEL; MONTE CARLO METHOD; QUALITATIVE ANALYSIS; SIMULATION; SOLVATION; THERMODYNAMICS;

EID: 56249130101     PISSN: 00222623     EISSN: None     Source Type: Journal    
DOI: 10.1021/jm800524s     Document Type: Article

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