Energy exchange network of inter-residue interactions within a thermally fluctuating protein molecule: A computational study

Journal of Computational Chemistry

Volumn 36, Issue 22, 2015, Pages 1709-1718

  Ishikura, Takakazu ^a   Iwata, Yuki ^a   Hatano, Tatsuro ^a   Yamato, Takahisa ^a,b  

^a NAGOYA UNIVERSITY   (Japan)

^b Advance System Development Division Toyota Technical Development Co ^*  (Japan)

Author keywords

allostery; inter residue energy conductivity; ligand binding; molecular dynamics simulations; PDZ domain

Indexed keywords

LIGANDS; MOLECULAR DYNAMICS;

ALLOSTERY; ATOMISTIC MOLECULAR DYNAMICS SIMULATIONS; COMPUTATIONAL STUDIES; INTER-RESIDUE INTERACTIONS; LIGAND BINDING; MOLECULAR DYNAMICS SIMULATIONS; PDZ DOMAINS; THERMAL FLUCTUATIONS;

PROTEINS;

DLGH4 PROTEIN, RAT; LIGAND; MEMBRANE PROTEIN; PROTEIN BINDING; SIGNAL PEPTIDE;

ANIMAL; BINDING SITE; CHEMISTRY; METABOLISM; MOLECULAR DYNAMICS; PDZ DOMAIN; PROTEIN CONFORMATION; PROTEIN SECONDARY STRUCTURE; RAT; THERMODYNAMICS;

ANIMALS; BINDING SITES; INTRACELLULAR SIGNALING PEPTIDES AND PROTEINS; LIGANDS; MEMBRANE PROTEINS; MOLECULAR DYNAMICS SIMULATION; PDZ DOMAINS; PROTEIN BINDING; PROTEIN CONFORMATION; PROTEIN STRUCTURE, SECONDARY; RATS; THERMODYNAMICS;

EID: 84937040398     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.23989     Document Type: Article

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