A kinetic Monte Carlo approach to investigate antibiotic translocation through bacterial porins

Journal of Physics Condensed Matter

Volumn 24, Issue 10, 2012, Pages

  Ceccarelli, Matteo ^a   Vargiu, Attilio V ^a   Ruggerone, Paolo ^a  

^a UNIVERSITY OF CAGLIARI   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

ALL-ATOM SIMULATIONS; BIOLOGICAL PROCESS; CLINICAL STRAINS; DIFFUSION-CONTROLLED RATES; DRUG DESIGN; EXPERIMENTAL DATA; IN-VIVO; KINETIC MONTE CARLO; MICROSCOPIC EFFECTS; NUMERICAL MODELS; PARTICLE RESERVOIRS; POTENTIAL OF MEAN FORCE; TIME-SCALES;

COMPUTER SIMULATION; PROTEINS;

ANTIBIOTICS;

AMPICILLIN; ANTIINFECTIVE AGENT; BACTERIAL PROTEIN; OUTER MEMBRANE PROTEIN F; PORIN;

ACTIVE TRANSPORT; ARTICLE; BINDING SITE; BIOLOGICAL MODEL; BIOPHYSICS; CHEMICAL STRUCTURE; CHEMISTRY; KINETICS; METABOLISM; MONTE CARLO METHOD; PROTEIN SECONDARY STRUCTURE; STATIC ELECTRICITY;

AMPICILLIN; ANTI-BACTERIAL AGENTS; BACTERIAL PROTEINS; BINDING SITES; BIOLOGICAL TRANSPORT, ACTIVE; BIOPHYSICAL PHENOMENA; KINETICS; MODELS, BIOLOGICAL; MODELS, MOLECULAR; MONTE CARLO METHOD; PORINS; PROTEIN STRUCTURE, SECONDARY; STATIC ELECTRICITY;

EID: 84857397996     PISSN: 09538984     EISSN: 1361648X     Source Type: Journal    
DOI: 10.1088/0953-8984/24/10/104012     Document Type: Article

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