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Bioorganic and Medicinal Chemistry Letters

Volumn 22, Issue 24, 2012, Pages 7593-7597

Impact of protein binding cavity volume (PCV) and ligand volume (LV) in rigid and flexible docking of protein-ligand complexes

(3) Saranya, N a Jeyakanthan, J b Selvaraj, S a

a BHARATHIDASAN UNIVERSITY (India)

b ALAGAPPA UNIVERSITY (India)

Author keywords

Docking and scoring; Protein binding cavity volume; Protein flexibility; Structure based drug design

Indexed keywords

APOPROTEIN; BLOOD CLOTTING FACTOR 10A; CYCLIN DEPENDENT KINASE 2; DIPEPTIDYL CARBOXYPEPTIDASE; HEAT SHOCK PROTEIN 90; PROTEINASE; THROMBIN;

ACCURACY; ARTICLE; COMPLEX FORMATION; CRYSTAL STRUCTURE; HUMAN IMMUNODEFICIENCY VIRUS 1; LIGAND BINDING; MOLECULAR DOCKING; MOLECULAR DYNAMICS; PROTEIN BINDING; PROTEIN CONFORMATION;

BINDING SITES; LIGANDS; MODELS, MOLECULAR; PROTEINS; STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 84870249634 PISSN: 0960894X EISSN: 14643405 Source Type: Journal
DOI: 10.1016/j.bmcl.2012.10.018 Document Type: Article

Times cited : (2)

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