Metadynamics Enhanced Markov Modeling of Protein Dynamics

Journal of Physical Chemistry B

Volumn 122, Issue 21, 2018, Pages 5508-5514

  Biswas, Mithun ^a   Lickert, Benjamin ^a   Stock, Gerhard ^a  

^a UNIVERSITY OF FREIBURG   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

FREE ENERGY; MARKOV PROCESSES; MOLECULAR DYNAMICS; PEPTIDES;

CONFORMATIONAL DYNAMICS; CONFORMATIONAL TRANSITIONS; FREE ENERGY LANDSCAPE; INITIAL STRUCTURES; MARKOV STATE MODELS; MOLECULAR DYNAMICS TRAJECTORIES; QUALITATIVE FEATURES; SHORT TRAJECTORIES;

TRAJECTORIES;

PEPTIDE;

CHEMISTRY; MARKOV CHAIN; METABOLISM; MOLECULAR DYNAMICS; PRINCIPAL COMPONENT ANALYSIS; THERMODYNAMICS;

MARKOV CHAINS; MOLECULAR DYNAMICS SIMULATION; PEPTIDES; PRINCIPAL COMPONENT ANALYSIS; THERMODYNAMICS;

EID: 85045185758     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/acs.jpcb.7b11800     Document Type: Article

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