Computational multiscale modeling in protein - Ligand docking

IEEE Engineering in Medicine and Biology Magazine

Volumn 28, Issue 2, 2009, Pages 58-69

  Taufer, Michela ^a   Armen, Roger ^b   Chen, Jianhan ^c   Teller, Patricia ^d   Brooks, Charles ^e  

^a University of Delaware   (United States)

^b UNIVERSITY OF WASHINGTON   (United States)

^c KANSAS STATE UNIVERSITY   (United States)

^d UNIVERSITY OF TEXAS AT EL PASO   (United States)

^e UNIVERSITY OF MICHIGAN   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BIOCHEMICAL PATHWAYS; BIOCHEMICAL REACTIONS; CARDIO-VASCULAR DISEASE; CELLULAR FUNCTIONS; ENERGY METABOLISMS; ENZYME INHIBITORS; HUMAN ENZYMES; INFECTIOUS DISEASE; KEY ENZYMES; MULTI-SCALE MODELING; NEURODEGENERATIVE DISEASE; PROTEIN-LIGAND DOCKING; SMALL MOLECULES; SMALL-MOLECULE DRUGS;

BIOCHEMICAL ENGINEERING; BIOCHEMISTRY; BIOLOGICAL SYSTEMS; CATALYSTS; LIGANDS; METABOLISM; MOLECULAR BIOLOGY; MOLECULES;

ENZYMES;

DOCKING PROTEIN; LIGAND; PHENPROCOUMON; PROTEINASE; PROTEINASE INHIBITOR; TIPRANAVIR; WARFARIN; PROTEIN; SOLVENT;

ACQUIRED IMMUNE DEFICIENCY SYNDROME; CHEMICAL MODIFICATION; CHEMICAL STRUCTURE; COMPLEX FORMATION; COMPUTER MODEL; COMPUTER SYSTEM; CONFERENCE PAPER; CRYSTAL STRUCTURE; DRUG DESIGN; DRUG RESEARCH; DRUG TARGETING; ENZYME ACTIVE SITE; GEOMETRY; HUMAN; HUMAN IMMUNODEFICIENCY VIRUS 1; INFORMATION TECHNOLOGY; INTERNET; LIGAND BINDING; NONHUMAN; PREDICTION; PROTEIN BINDING; THREE DIMENSIONAL IMAGING; X RAY CRYSTALLOGRAPHY; ALGORITHM; ARTICLE; BIOLOGY; CHEMISTRY; COMPUTER SIMULATION; METABOLISM; METHODOLOGY; MONTE CARLO METHOD;

ALGORITHMS; COMPUTATIONAL BIOLOGY; COMPUTER SIMULATION; LIGANDS; MODELS, MOLECULAR; MONTE CARLO METHOD; PROTEIN BINDING; PROTEINS; SOLVENTS;

EID: 64549096412     PISSN: 07395175     EISSN: None     Source Type: Journal    
DOI: 10.1109/MEMB.2009.931789     Document Type: Conference Paper

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