QM/MM modeling the Ras-GAP catalyzed hydrolysis of guanosine triphosphate

Proteins: Structure, Function and Genetics

Volumn 60, Issue 3, 2005, Pages 495-503

  Grigorenko, Bella L ^a   Nemukhin, Alexander V ^a   Topol, Igor A ^b   Cachau, Raul E ^b   Burt, Stanley K ^b  

^a MOSCOW STATE UNIVERSITY   (Russian Federation)

^b SAIC FREDERICK INC   (United States)

Author keywords

G proteins; GTP hydrolysis; QM MM modeling; Ras GAP

Indexed keywords

ARGININE; GLUTAMINE; GUANOSINE TRIPHOSPHATASE ACTIVATING PROTEIN; GUANOSINE TRIPHOSPHATE; PHOSPHATE; RAS PROTEIN; THREONINE;

AB INITIO CALCULATION; ARTICLE; CARCINOGENESIS; CHEMICAL MODIFICATION; ENERGY TRANSFER; GEOMETRY; HYDROLYSIS; MOLECULAR DYNAMICS; MUTATION; PRIORITY JOURNAL; PROTEIN STRUCTURE; PROTON TRANSPORT; QUANTUM MECHANICS; REACTION ANALYSIS;

CATALYSIS; COMPUTATIONAL BIOLOGY; ELECTROSTATICS; GENES, RAS; GUANOSINE TRIPHOSPHATE; HUMANS; HYDROLYSIS; MACROMOLECULAR SUBSTANCES; MODELS, MOLECULAR; MOLECULAR CONFORMATION; MUTATION; OXYGEN; PROTEIN BINDING; PROTEIN CONFORMATION; PROTEOMICS; PROTO-ONCOGENE PROTEINS P21(RAS); RAS PROTEINS; STRUCTURE-ACTIVITY RELATIONSHIP; THERMODYNAMICS; WATER;

EID: 23044445638     PISSN: 08873585     EISSN: None     Source Type: Journal    
DOI: 10.1002/prot.20472     Document Type: Article

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