REMD Simulations Reveal the Dynamic Profile and Mechanism of Action of Deleterious, Rescuing, and Stabilizing Perturbations to NBD1 from CFTR

Journal of Chemical Information and Modeling

Volumn 55, Issue 11, 2015, Pages 2349-2364

  Zhenin, Michael ^a   Noy, Efrat ^a   Senderowitz, Hanoch ^a  

^a BAR ILAN UNIVERSITY   (Israel)

Author keywords

[No Author keywords available]

Indexed keywords

CHLORINE COMPOUNDS;

BIOCHEMICAL PROPERTIES; CHLORIDE CHANNELS; COMPARATIVE ANALYSIS; MECHANISM OF ACTION; NUCLEOTIDE-BINDING DOMAIN; REPLICA EXCHANGE; STABILIZING EFFECTS; THERMALLY UNSTABLE;

DYNAMICS;

ADENOSINE TRIPHOSPHATE; CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR; EXCIPIENT; LIGAND;

CHEMISTRY; CYSTIC FIBROSIS; DRUG EFFECTS; GENE DELETION; GENETICS; HUMAN; METABOLISM; MOLECULAR DYNAMICS; PROTEIN CONFORMATION; PROTEIN STABILITY; PROTEIN TERTIARY STRUCTURE;

ADENOSINE TRIPHOSPHATE; CYSTIC FIBROSIS; CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR; EXCIPIENTS; HUMANS; LIGANDS; MOLECULAR DYNAMICS SIMULATION; PROTEIN CONFORMATION; PROTEIN STABILITY; PROTEIN STRUCTURE, TERTIARY; SEQUENCE DELETION;

EID: 84947918782     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/acs.jcim.5b00312     Document Type: Article

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