Docking and biomolecular simulations on computer grids: Status and trends

Current Computer-Aided Drug Design

Volumn 4, Issue 3, 2008, Pages 235-249

  Tantar, Alexandru Adrian ^a   Conilleau, Sébastien ^d   Parent, Benjamin ^b   Melab, Nouredine ^a   Brillet, Lorraine ^c   Roy, Sylvaine ^c   Talbi, El Ghazali ^a   Horvath, Dragos ^d  

^a INRIA   (France)

^b Institut Superieur de l'Electronique et du Numerique   (France)

^c CEA GRENOBLE   (France)

^d UNIVERSITÉ DE STRASBOURG   (France)

Author keywords

Computer aided drug design; Conformational sampling; Docking; Large scale parallel computing; Molecular simulations; Protein folding

Indexed keywords

COMPUTER WORKSTATIONS;

BIOMOLECULAR SIMULATION; COMPUTER AIDED DRUG DESIGN; COMPUTER GRID; CONFORMATIONAL SAMPLINGS; DOCKING; DOCKING SIMULATIONS; LARGE-SCALE PARALLEL COMPUTING; MOLECULAR SIMULATIONS; PROTEIN FOLDINGS; REVIEW PAPERS;

MOLECULAR STRUCTURE;

ARGATROBAN; METHOTREXATE; PARACETAMOL;

COMPUTER AIDED DESIGN; COMPUTER PROGRAM; COMPUTER SIMULATION; DRUG DESIGN; EVOLUTIONARY ALGORITHM; INFORMATION SCIENCE; MOLECULAR DYNAMICS; MOLECULAR MODEL; MONTE CARLO METHOD; REVIEW;

EID: 54749142881     PISSN: 15734099     EISSN: None     Source Type: Journal    
DOI: 10.2174/157340908785747438     Document Type: Review

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