Relating kinetic rates and local energetic roughness by accelerated molecular-dynamics simulations

Journal of Chemical Physics

Volumn 122, Issue 24, 2005, Pages

  Hamelberg, Donald ^a   Shen, Tongye ^a   Andrew McCammon, J ^a  

^a UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER SIMULATION; CORRELATION METHODS; DIFFUSION; ISOMERIZATION; ISOMERS; KINETIC THEORY; MOLECULAR DYNAMICS; POTENTIAL ENERGY; PROBLEM SOLVING; PROTEINS; SURFACE ROUGHNESS; TORSIONAL STRESS;

ATOMISTIC RESOLUTION; BOLTZMANN PROBABILITY; KINETIC RATES; TRANSITION STATE THEORY;

BIOPOLYMERS;

BIOPOLYMER; PROLINE; SERINE;

ALGORITHM; ARTICLE; CHEMISTRY; COMPUTER SIMULATION; DIFFUSION; ISOMERISM; KINETICS; PROTEIN CONFORMATION; PROTEIN FOLDING; PROTEIN MOTIF; THERMODYNAMICS;

ALGORITHMS; AMINO ACID MOTIFS; BIOPOLYMERS; COMPUTER SIMULATION; DIFFUSION; ISOMERISM; KINETICS; PROLINE; PROTEIN CONFORMATION; PROTEIN FOLDING; SERINE; THERMODYNAMICS;

EID: 22544433172     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1942487     Document Type: Article

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