Ligand docking and structure-based virtual screening in drug discovery

Current Topics in Medicinal Chemistry

Volumn 7, Issue 10, 2007, Pages 1006-1014

  Cavasotto, Claudio N ^a,b   Orry, Andrew J W ^a  

^a MOLSOFT LLC   (United States)

^b UNIVERSITY OF TEXAS   (United States)

Author keywords

Drug discovery; Ligand docking; Protein flexibility; Scoring; Structure based virtual screening

Indexed keywords

DOCKING PROTEIN; INOSINATE DEHYDROGENASE INHIBITOR; LIGAND; PROTEINASE INHIBITOR; RNA DIRECTED DNA POLYMERASE INHIBITOR; THIOCARBAMIC ACID DERIVATIVE;

ACCURACY; ALGORITHM; COMPLEX FORMATION; COMPUTER ANALYSIS; CRYSTALLOGRAPHY; DRUG RESEARCH; DRUG STRUCTURE; ENTROPY; HUMAN; MOLECULAR DYNAMICS; NUCLEAR MAGNETIC RESONANCE; PROCESS OPTIMIZATION; PROTEIN STRUCTURE; REVIEW; SCORING SYSTEM; SOLVATION; STRUCTURAL GENOMICS; STRUCTURE ANALYSIS; VIRTUAL REALITY;

ALGORITHMS; ANIMALS; BINDING SITES; COMPUTATIONAL BIOLOGY; DRUG DESIGN; HUMANS; LIGANDS; MODELS, MOLECULAR; PROTEIN BINDING; STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 34447275949     PISSN: 15680266     EISSN: None     Source Type: Journal    
DOI: 10.2174/156802607780906753     Document Type: Review

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