Elucidating Enzymatic Catalysis Using Fast Quantum Chemical Descriptors-Reference-Cited by-同舟云学术

Elucidating Enzymatic Catalysis Using Fast Quantum Chemical Descriptors

Published:2020-01-02 Issue:2 Volume:60 Page:578-591
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Grillo Igor Barden¹,Urquiza-Carvalho Gabriel A.²,Bachega José Fernando Ruggiero³,Rocha Gerd Bruno¹^ORCID

Affiliation:

1. Department of Chemistry, Federal University of Paraíba, Cidade Universitária, João Pessoa, Paraíba 58051-085, Brazil

2. Department of Fundamental Chemistry, Federal University of Pernambuco, Cidade Universitária, Recife, Pernambuco 50670-901, Brazil

3. Department of Pharmacosciences, Federal University of Health Sciences of Porto Alegre, Centro Histórico, Porto Alegre, Rio Grande do Sul 90050-170, Brazil

Funder

Conselho Nacional de Desenvolvimento Cient?fico e Tecnol?gico

Financiadora de Estudos e Projetos

Coordena??o de Aperfei?oamento de Pessoal de N?vel Superior

Publisher

American Chemical Society (ACS)

Subject

Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.9b00860

Reference56 articles.

1. Theoretical insights in enzyme catalysis

2. Combined Quantum Mechanics/Molecular Mechanics (QM/MM) Methods in Computational Enzymology

3. Computational enzymology

4. Modeling of laccase inhibition by formetanate pesticide using theoretical approaches

5. NAMD goes quantum: an integrative suite for hybrid simulations

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