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Volumn 14, Issue 6, 2008, Pages 479-487

Optimization of cutting schemes for the evaluation of molecular electrostatic potentials in proteins via Moving-Domain QM/MM

(2) Menikarachchi, Lochana C a Gascón, José A a

a UNIVERSITY OF CONNECTICUT (United States)

Author keywords

Molecular electrostatic potential; Moving Domain QM MM; Polarization

Indexed keywords

GRAMICIDIN A; POTASSIUM CHANNEL;

ARTICLE; BREVIBACILLUS BREVIS; CONTROLLED STUDY; ELECTRIC POTENTIAL; ENERGY; MOLECULAR DYNAMICS; MOLECULAR INTERACTION; MOLECULAR MECHANICS; MOLECULAR MODEL; NONHUMAN; POLARIZATION; PRIORITY JOURNAL; PROCESS OPTIMIZATION; PROTEIN ANALYSIS; PROTEIN STRUCTURE;

BACILLUS SUBTILIS; BACTERIAL PROTEINS; COMPUTER SIMULATION; ELECTROSTATICS; GRAMICIDIN; MODELS, CHEMICAL; PROTEIN STRUCTURE, TERTIARY; PROTEINS; THERMODYNAMICS;

BREVIBACILLUS BREVIS;

EID: 43849107972 PISSN: 16102940 EISSN: 09485023 Source Type: Journal
DOI: 10.1007/s00894-008-0306-z Document Type: Article

Times cited : (9)

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