HMGB1-carbenoxolone interactions: Dynamics insights from combined nuclear magnetic resonance and molecular dynamics

Chemistry - An Asian Journal

Volumn 6, Issue 5, 2011, Pages 1171-1180

  Mollica, Luca ^a   Morra, Giulia ^b   Colombo, Giorgio ^b,c   Musco, Giovanna ^a,c  

^a DULBECCO TELETHON INSTITUTE   (Italy)

^b CNR   (Italy)

^c INSTITUT DE BIOLOGIE STRUCTURALE   (France)

Author keywords

carbenoxolone; drug design; helical structures; molecular dynamics; proteins

Indexed keywords

ANTI-INFLAMMATORY DRUGS; ATOMIC-RESOLUTION; BIOLOGICAL PROCESS; CARBENOXOLONE; CONFORMATIONAL ENSEMBLE; CONFORMATIONAL PROPERTIES; DIPOLAR WAVES; DRUG DESIGN; DRUG DISCOVERY; ESSENTIAL DYNAMICS; EXPERIMENTAL DATA; FREEFORMS; HELICAL STRUCTURES; HIGH-MOBILITY GROUPS; INTERNAL COORDINATION; INTERNAL DYNAMICS; LIGAND BINDING; MD SIMULATION; MOLECULAR DYNAMICS SIMULATIONS; NEW APPROACHES; NEW OPPORTUNITIES; NMR RELAXATION; NMR RELAXATION EXPERIMENTS; PROTEIN DYNAMICS; PROTEIN RESIDUES; RESIDUAL DIPOLAR COUPLINGS; SUBDOMAIN;

AMIDES; DYNAMICS; LIGANDS; MOLECULAR BIOLOGY; MOLECULAR RECOGNITION; NUCLEAR MAGNETIC RESONANCE; PROTEINS; RESONANCE;

MOLECULAR DYNAMICS;

CARBENOXOLONE; HIGH MOBILITY GROUP B1 PROTEIN;

ARTICLE; CHEMISTRY; MOLECULAR DYNAMICS; NUCLEAR MAGNETIC RESONANCE; PROTEIN BINDING; PROTEIN TERTIARY STRUCTURE;

CARBENOXOLONE; HMGB1 PROTEIN; MOLECULAR DYNAMICS SIMULATION; NUCLEAR MAGNETIC RESONANCE, BIOMOLECULAR; PROTEIN BINDING; PROTEIN STRUCTURE, TERTIARY;

EID: 79955608918     PISSN: 18614728     EISSN: 1861471X     Source Type: Journal    
DOI: 10.1002/asia.201000726     Document Type: Article

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