Complementarity of hydrophobic properties in ATP-protein binding: A new criterion to rank docking solutions

Proteins: Structure, Function and Genetics

Volumn 66, Issue 2, 2007, Pages 388-398

  Pyrkov, Timothy V ^a,b   Kosinsky, Yuri A ^a   Arseniev, Alexander S ^a   Priestle, John P ^c   Jacoby, Edgar ^c   Efremov, Roman G ^a  

^a SHEMYAKIN OVCHINNIKOV INSTITUTE OF BIOORGANIC CHEMISTRY   (Russian Federation)

^b MOSCOW INSTITUTE OF PHYSICS AND TECHNOLOGY   (Russian Federation)

^c NOVARTIS PHARMA AG   (Switzerland)

Author keywords

ATP recognition; Molecular hydrophobicity potential; Molecular lipophilicity potential; Scoring function

Indexed keywords

ADENINE; ADENOSINE TRIPHOSPHATE; ADENYLATE KINASE; ARGININOSUCCINATE SYNTHASE; ASPARTATE TRANSFER RNA LIGASE; BINDING PROTEIN; BIOTIN CARBOXYLASE; CARBOXYLASE; CASEIN KINASE I; CHAPERONIN; COBALAMIN ADENOSYLTRANSFERASE; CYCLIN DEPENDENT KINASE 2; DETHIOBIOTIN SYNTHETASE; GLUTAMATE TRANSFER RNA LIGASE; HEAT SHOCK PROTEIN 70; HELICASE; HISTIDINE PERMEASE; LIGAND; LYSINE TRANSFER RNA LIGASE; MALATE DEHYDROGENASE (NADP); MEVALONATE KINASE; MYOSIN HEAVY CHAIN; PHOSPHATIDYLINOSITOL 3 KINASE; PHOSPHORIBOSYLGLYCINAMIDE FORMYLTRANSFERASE; PROTON TRANSPORTING ADENOSINE TRIPHOSPHATE SYNTHASE; SYNAPSIN II; SYNTHETASE; THYMIDYLATE KINASE; TRANSFERASE; UNCLASSIFIED DRUG; UNINDEXED DRUG;

ARTICLE; COMPLEX FORMATION; COMPUTER PROGRAM; CRYSTAL STRUCTURE; HYDROGEN BOND; HYDROPHILICITY; HYDROPHOBICITY; MOLECULAR INTERACTION; MOLECULAR RECOGNITION; PRIORITY JOURNAL; SIMULATION; VALIDATION PROCESS;

ADENINE; ADENOSINE TRIPHOSPHATE; ALGORITHMS; ANIMALS; BINDING SITES; COMPUTER SIMULATION; HUMANS; HYDROGEN BONDING; HYDROPHOBICITY; KINETICS; LIGANDS; MODELS, CHEMICAL; MODELS, MOLECULAR; PROTEIN BINDING; PROTEIN CONFORMATION; PROTEINS;

EID: 33845990592     PISSN: 08873585     EISSN: 10970134     Source Type: Journal    
DOI: 10.1002/prot.21122     Document Type: Article

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