Automated computation of low-energy pathways for complex rearrangements in proteins: Application to the conformational switch of Ras p21

Proteins: Structure, Function and Genetics

Volumn 59, Issue 3, 2005, Pages 534-544

  Noé, Frank ^a   Ille, Fabian ^a   Smith, Jeremy C ^a   Fischer, Stefan ^a  

^a UNIVERSITY OF HEIDELBERG   (Germany)

Author keywords

Conformational transition; Conjugate peak refinement (CPR); Initial path; Interpolation method; Minimum energy path (MEP); Molecular movie; Path optimization; Reaction path

Indexed keywords

PROTEIN P21; RAS PROTEIN;

ARTICLE; AUTOMATION; CONFORMATIONAL TRANSITION; ENERGY; PRIORITY JOURNAL; PROTEIN CONFORMATION; PROTEIN FOLDING; PROTEIN STRUCTURE; SIMULATION;

AUTOMATION; BINDING SITES; GUANOSINE DIPHOSPHATE; GUANOSINE TRIPHOSPHATE; MODELS, MOLECULAR; PHOSPHATES; PROTEIN CONFORMATION; PROTEIN STRUCTURE, SECONDARY; PROTO-ONCOGENE PROTEINS P21(RAS); THERMODYNAMICS; WATER;

EID: 17844406890     PISSN: 08873585     EISSN: None     Source Type: Journal    
DOI: 10.1002/prot.20422     Document Type: Article

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