Molecular dynamics simulations and drug discovery

BMC Biology

Volumn 9, Issue , 2011, Pages

  Durrant, Jacob D ^a   McCammon, J Andrew ^a  

^a UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

Allosteric binding sites; Computer aided drug discovery; Cryptic binding sites; Molecular dynamics simulations; Virtual screening, free energy prediction

Indexed keywords

BINDING SITE; DRUG DEVELOPMENT; HUMAN; MOLECULAR DYNAMICS; MOLECULAR LIBRARY; REVIEW; THERMODYNAMICS;

ALLOSTERIC SITE; DRUG DISCOVERY; HUMANS; MOLECULAR DYNAMICS SIMULATION; SMALL MOLECULE LIBRARIES; THERMODYNAMICS;

EID: 80054950510     PISSN: None     EISSN: 17417007     Source Type: Journal    
DOI: 10.1186/1741-7007-9-71     Document Type: Review

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