Probing the wild-type HRas activation mechanism using steered molecular dynamics, understanding the energy barrier and role of water in the activation

European Biophysics Journal

Volumn 43, Issue 2-3, 2014, Pages 81-95

  Sharma, Neeru ^a   Sonavane, Uddhavesh ^a   Joshi, Rajendra ^a  

^a CENTRE FOR DEVELOPMENT OF ADVANCED COMPUTING   (India)

Author keywords

Classical molecular dynamics; Energy barrier; GDP; GTP; HRas activation mechanism; Steered molecular dynamics

Indexed keywords

GUANOSINE DIPHOSPHATE; GUANOSINE TRIPHOSPHATE; HARVEY RAT SARCOMA PROTIEN; TUMOR PROTEIN; UNCLASSIFIED DRUG; WATER;

ARTICLE; ENZYME ACTIVE SITE; HARVEY SARCOMA ONCOVIRUS; HISTOGRAM; HUMAN; HYDROGEN BOND; MOLECULAR DYNAMICS; PRIORITY JOURNAL; PROTEIN ANALYSIS; PROTEIN CONFORMATION; PROTEIN INTERACTION; SIMULATION;

AMINO ACID SEQUENCE; HUMANS; MOLECULAR DYNAMICS SIMULATION; MOLECULAR SEQUENCE DATA; PROTEIN CONFORMATION; PROTO-ONCOGENE PROTEINS P21(RAS); THERMODYNAMICS; WATER;

EID: 84896096836     PISSN: 01757571     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00249-014-0942-4     Document Type: Article

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