Development of accurate binding affinity predictions of novel renin inhibitors through molecular docking studies

Journal of Molecular Graphics and Modelling

Volumn 29, Issue 3, 2010, Pages 425-435

  Politi, Aggeliki ^a   Durdagi, Serdar ^b   Moutevelis Minakakis, Panagiota ^a   Kokotos, George ^a   Mavromoustakos, Thomas ^a  

^a UNIVERSITY OF ATHENS   (Greece)

^b UNIVERSITY OF CALGARY   (Canada)

Author keywords

ChemScore; Drug design; Glide IFD; GoldScore; Molecular docking; Renin inhibitors; Renin angiotensin system

Indexed keywords

CHEMSCORE; DRUG DESIGN; GLIDE IFD; GOLDSCORE; MOLECULAR DOCKING; RENIN INHIBITORS; RENIN-ANGIOTENSIN SYSTEM;

BINDING ENERGY; DESIGN; LINEAR REGRESSION; MOLECULAR MODELING;

DOCKING;

RENIN INHIBITOR;

ARTICLE; BINDING AFFINITY; CRYSTAL STRUCTURE; DRUG DESIGN; DRUG RECEPTOR BINDING; DRUG STRUCTURE; IC 50; LINEAR REGRESSION ANALYSIS; MOLECULAR DOCKING; PHARMACOPHORE; PRIORITY JOURNAL;

BINDING SITES; COMPUTER SIMULATION; HUMANS; MODELS, MOLECULAR; MOLECULAR STRUCTURE; PROTEIN BINDING; PROTEIN CONFORMATION; RENIN;

EID: 78649526211     PISSN: 10933263     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jmgm.2010.08.003     Document Type: Article

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