Accurate and Efficient Description of Protein Vibrational Dynamics: Comparing Molecular Dynamics and Gaussian Models

Proteins: Structure, Function and Genetics

Volumn 55, Issue 3, 2004, Pages 635-645

  Micheletti, Cristian ^a,b,d   Carloni, Paolo ^a   Maritan, Amos ^a,b,c  

^a INFM   (Italy)

^b ABDUS SALAM INTERNATIONAL CENTRE FOR THEORETICAL PHYSICS   (Italy)

^c UNIVERSITY OF PADOVA   (Italy)

^d SISSA   (Italy)

Author keywords

Drug resistance; Gaussian models for vibrational dynamics; HIV 1 protease; Molecular dynamics; Protein flexibility

Indexed keywords

ACCURACY; ARTICLE; MATHEMATICAL COMPUTING; MATHEMATICAL MODEL; MOLECULAR DYNAMICS; NANOTECHNOLOGY; NONHUMAN; NORMAL DISTRIBUTION; PRIORITY JOURNAL; PROTEIN ANALYSIS; PROTEIN FUNCTION; PROTEIN STRUCTURE; SIMULATION; STRUCTURE ANALYSIS; THERMODYNAMICS; TIME; VIBRATION;

COMPUTER SIMULATION; HIV PROTEASE; MACROMOLECULAR SUBSTANCES; MODELS, CHEMICAL; MODELS, MOLECULAR; MOLECULAR STRUCTURE; PROTEINS; TEMPERATURE; VIBRATION;

HUMAN IMMUNODEFICIENCY VIRUS 1;

EID: 2442543557     PISSN: 08873585     EISSN: None     Source Type: Journal    
DOI: 10.1002/prot.20049     Document Type: Article

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