SCOPUS 정보 검색 플랫폼

Volumn 112, Issue 4, 2004, Pages 327-334

Electrostatic effects in enzyme catalysis: A quantum mechanics/molecular mechanics study of the nucleophilic substitution reaction in haloalkane dehalogenase

(6) Soriano, Alejandro a Silla, Estanislao a Tuñón, Iñaki a Martí, Sergio b Moliner, Vicent b Bertrán, Juan c

a UNIVERSITY OF VALENCIA (Spain)

b UNIVERSITAT JAUME I (Spain)

c UNIVERSITAT AUTÒNOMA DE BARCELONA (Spain)

Author keywords

Electrostatic effects; Enzyme catalysis; Haloalkane dehalogenase; Potential of mean force; Quantum mechanics molecular mechanics methods

Indexed keywords

1,2 DICHLOROETHANE; BACTERIAL ENZYME; CARBON; CHLORINE; HALOALKANE DEHALOGENASE; HALOOLEFIN; UNCLASSIFIED DRUG;

AQUEOUS SOLUTION; CATALYSIS; CHEMICAL BOND; COMPARATIVE STUDY; CONFERENCE PAPER; ELECTRIC POTENTIAL; ELECTROCHEMISTRY; EMPIRICISM; MOLECULAR DYNAMICS; MOLECULAR MECHANICS; QUANTUM MECHANICS; SIMULATION; SUBSTITUTION REACTION; THEORETICAL MODEL; XANTHOBACTER;

EID: 4944258433 PISSN: 1432881X EISSN: None Source Type: Journal
DOI: 10.1007/s00214-004-0592-1 Document Type: Conference Paper

Times cited : (17)

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