AMMOS: Automated molecular mechanics optimization tool for in silico screening

BMC Bioinformatics

Volumn 9, Issue , 2008, Pages

  Pencheva, Tania ^a,b   Lagorce, David ^a   Pajeva, Ilza ^b   Villoutreix, Bruno O ^a   Miteva, Maria A ^a  

^a INSERM   (France)

^b CENTRE OF BIOMEDICAL ENGINEERING   (Bulgaria)

Author keywords

[No Author keywords available]

Indexed keywords

AUTOMATIC PROCEDURES; DRUG DISCOVERY PROCESS; IN-SILICO DRUG DESIGN; POST-DOCKING OPTIMIZATIONS; PROTEIN-LIGAND COMPLEXES; PROTEIN-LIGAND INTERACTIONS; RECEPTOR-LIGAND COMPLEX; STRUCTURAL REFINEMENT;

BINDING SITES; COMPLEXATION; DIGITAL LIBRARIES; LIGANDS; MOLECULAR MECHANICS; MOLECULES; PROTEINS; STRUCTURAL OPTIMIZATION; VIRTUAL ADDRESSES;

SHAPE OPTIMIZATION;

BLOOD CLOTTING FACTOR 10; BLOOD CLOTTING FACTOR 10 INHIBITOR; LIGAND; PROTEIN INHIBITOR; RALOXIFENE; RECEPTOR PROTEIN; SIALIDASE INHIBITOR; THYMIDINE; UNCLASSIFIED DRUG; ESTROGEN RECEPTOR; PROTEIN; SIALIDASE;

ARTICLE; AUTOMATION; BINDING SITE; COMPLEX FORMATION; COMPUTER MODEL; COMPUTER PROGRAM; CONTROLLED STUDY; DRUG DESIGN; DRUG SCREENING; DRUG STRUCTURE; MOLECULAR LIBRARY; MOLECULAR MECHANICS; PREDICTION; PROCESS OPTIMIZATION; PROTEIN ANALYSIS; PROTEIN BINDING; PROTEIN STRUCTURE; PROTEIN TARGETING; STRUCTURE ANALYSIS; THREE DIMENSIONAL IMAGING; VIRTUAL REALITY; ALGORITHM; CHEMICAL STRUCTURE; CHEMISTRY; DRUG ANTAGONISM; METABOLISM; THERMODYNAMICS;

ALGORITHMS; BINDING SITES; DRUG DESIGN; LIGANDS; MODELS, MOLECULAR; NEURAMINIDASE; PROTEINS; RECEPTORS, ESTROGEN; SMALL MOLECULE LIBRARIES; SOFTWARE; THERMODYNAMICS;

EID: 57049093235     PISSN: None     EISSN: 14712105     Source Type: Journal    
DOI: 10.1186/1471-2105-9-438     Document Type: Article

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