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Journal of Molecular Structure: THEOCHEM

Volumn 530, Issue 1-2, 2000, Pages 177-181

Proton dynamics in an enzyme model substrate: An ab initio molecular dynamics study

(3) Pantano, S a Alber, F a Carloni, P b

a SISSA (Italy)

b INTERNATIONAL CENTRE FOR GENETIC ENGINEERING AND BIOTECHNOLOGY (Italy)

Author keywords

Ab initio molecular dynamics; Enolic intermediate; Finite temperature effects; Low barrier hydrogen bond; Proton transfer

Indexed keywords

ARTICLE; CHEMICAL STRUCTURE; ENZYME MECHANISM; HYDROGEN BOND; MODEL; MOLECULAR DYNAMICS; PROTON TRANSPORT;

EID: 0034684015 PISSN: 01661280 EISSN: None Source Type: Journal
DOI: 10.1016/S0166-1280(00)00331-6 Document Type: Article

Times cited : (14)

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* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.