Microsecond molecular dynamics simulation shows effect of slow loop dynamics on backbone amide order parameters of proteins

Journal of Physical Chemistry B

Volumn 112, Issue 19, 2008, Pages 6155-6158

  Maragakis, Paul ^a   Lindorff Larsen, Kresten ^a,c   Eastwood, Michael P ^a   Dror, Ron O ^a   Klepeis, John L ^a   Arkin, Isaiah T ^a,d   Jensen, Morten Ø ^a   Xu, Huafeng ^a   Trbovic, Nikola ^b   Friesner, Richard A ^b   Palmer Iii, Arthur G ^b   Shaw, David E ^a,b  

^a D E SHAW RESEARCH   (United States)

^b Och Spine at New York Presbyterian Hospitals   (United States)

^c UNIVERSITY OF COPENHAGEN   (Denmark)

^d HEBREW UNIVERSITY OF JERUSALEM   (Israel)

Author keywords

[No Author keywords available]

Indexed keywords

AMIDES; EXPERIMENTS; MOLECULAR DYNAMICS; NUCLEAR MAGNETIC RESONANCE; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; PROTEINS; QUANTUM CHEMISTRY;

COUPLED ANALYSIS; DYNAMIC PROPERTIES; FORCE FIELDS; GENERALIZED ORDER; INTEGRATION METHODS; INTERNAL MOTIONS; LOOP DYNAMICS; LOOP REGIONS; MD SIMULATIONS; MOLECULAR DYNAMICS SIMULATION; MOLECULAR LEVELS; MOLECULAR-DYNAMICS SIMULATIONS; NMR RELAXATION EXPERIMENTS; NMR SPECTROS COPY; ON TIME; ORDER PARAMETERS; PICO SECONDS; PROTEIN DYNAMICS; PROTEIN STRUCTURES; ROTATIONAL DIFFUSION; SECONDARY STRUCTURES; SIMULATED ORDER; TIME SCALING; UBIQUITIN;

DYNAMICS;

AMIDE; PROTEIN;

ARTICLE; CHEMISTRY; COMPUTER SIMULATION; TIME;

AMIDES; COMPUTER SIMULATION; PROTEINS; TIME FACTORS;

EID: 44949111351     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp077018h     Document Type: Article

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