Energy Landscape of All-Atom Protein-Protein Interactions Revealed by Multiscale Enhanced Sampling

PLoS Computational Biology

Volumn 10, Issue 10, 2014, Pages

  Moritsugu, Kei ^a,b   Terada, Tohru ^a,c   Kidera, Akinori ^a,b  

^a RIKEN   (Japan)

^b YOKOHAMA CITY UNIVERSITY   (Japan)

^c UNIVERSITY OF TOKYO   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

ASSOCIATION REACTIONS; DISSOCIATION; MOLECULAR INTERACTIONS; MOLECULAR STRUCTURE; PROTEINS;

ALL-ATOM MODEL; BARNASE-BARSTAR; COMPLEXES STRUCTURE; ENERGY LANDSCAPE; ENHANCED SAMPLINGS; EXPLICIT SOLVENTS; PROTEIN COMPLEXES; PROTEIN-PROTEIN INTERACTIONS; SAMPLING SIMULATION; STABLE COMPLEXES;

ATOMS;

ARTICLE; BINDING AFFINITY; COMPLEX FORMATION; DISSOCIATION; ENERGY YIELD; INVESTIGATIVE PROCEDURES; MOLECULAR RECOGNITION; MULTISCALE ENHANCED SAMPLING; PROTEIN FOLDING; PROTEIN LOCALIZATION; PROTEIN PROCESSING; PROTEIN PROTEIN INTERACTION; PROTEIN STRUCTURE; BIOLOGY; CHEMISTRY; METABOLISM; MOLECULAR DYNAMICS; PROCEDURES; PROTEIN CONFORMATION; THERMODYNAMICS;

PROTEIN; PROTEIN BINDING;

COMPUTATIONAL BIOLOGY; MOLECULAR DYNAMICS SIMULATION; PROTEIN BINDING; PROTEIN CONFORMATION; PROTEINS; THERMODYNAMICS;

EID: 84908334314     PISSN: 1553734X     EISSN: 15537358     Source Type: Journal    
DOI: 10.1371/journal.pcbi.1003901     Document Type: Article

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