Computer-aided drug design platform using PyMOL

Journal of Computer-Aided Molecular Design

Volumn 25, Issue 1, 2011, Pages 13-19

  Lill, Markus A ^a   Danielson, Matthew L ^a  

^a PURDUE UNIVERSITY   (United States)

Author keywords

Computer aided drug discovery; Docking; Free energies; Molecular modeling; PyMOL; Scoring

Indexed keywords

COMPUTATIONAL CHEMISTRY; COMPUTATIONAL METHODS; FREE ENERGY; GRAPHICAL USER INTERFACES; LIGANDS; OPEN SOURCE SOFTWARE; OPEN SYSTEMS; PROTEINS;

AUTODOCK VINAS; COMPUTATIONAL PLATFORMS; COMPUTATIONAL TECHNIQUE; COMPUTER-AIDED DRUG DISCOVERY; DOCKING; DYNAMICS SIMULATION; PROTEIN-LIGAND INTERACTIONS; PYMOL; SCORING; USER FRIENDLY;

MOLECULAR DYNAMICS;

ARTICLE; BINDING AFFINITY; COMPUTER AIDED DESIGN; COMPUTER INTERFACE; COMPUTER PROGRAM; COMPUTER SIMULATION; DRUG DESIGN; MOLECULAR DOCKING; MOLECULAR DYNAMICS; MOLECULAR MECHANICS; MOLECULAR MODEL; PREDICTION; PRIORITY JOURNAL; PROCESS DEVELOPMENT; SCORING SYSTEM;

EID: 78651235334     PISSN: 0920654X     EISSN: 15734951     Source Type: Journal    
DOI: 10.1007/s10822-010-9395-8     Document Type: Article

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