Rui Pedro Pimenta das Neves


AuthID: R-004-V46

Confirmed Publications: 33



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TITLE: Properties that rank protein: protein docking poses with high accuracy  Full Text
AUTHORS: Simoes, ICM; Coimbra, JTS ; Neves, Rui P. P. ; Costa, IPD; Ramos, MJ ; Fernandes, PA ;
PUBLISHED: 2018, SOURCE: PHYSICAL CHEMISTRY CHEMICAL PHYSICS, VOLUME: 20, ISSUE: 32
INDEXED IN: Scopus WOS CrossRef: 7
IN MY: ORCID
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TITLE: A QM/MM study of the reaction mechanism of human beta-ketoacyl reductase  Full Text
AUTHORS: Medina, FE; Neves, Rui P. P. ; Ramos, MJ ; Fernandes, PA ;
PUBLISHED: 2017, SOURCE: PHYSICAL CHEMISTRY CHEMICAL PHYSICS, VOLUME: 19, ISSUE: 1
INDEXED IN: Scopus WOS CrossRef: 15
IN MY: ORCID
25
TITLE: Application of quantum mechanics/molecular mechanics methods in the study of enzymatic reaction mechanisms. Application of QM/MM methods  Full Text
AUTHORS: Sérgio F. Sousa ; Ribeiro, AJM ; Neves, Rui P. P. ; Bras, NF ; Cerqueira, NMFSA ; Fernandes, PA ; Ramos, MJ ;
PUBLISHED: 2017, SOURCE: WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE, VOLUME: 7, ISSUE: 2
INDEXED IN: Scopus WOS CrossRef: 124
IN MY: ORCID
26
TITLE: Mechanistic insights on the reduction of glutathione disulfide by protein disulfide isomerase
AUTHORS: Neves, Rui P. P. ; Fernandes, PA ; Ramos, MJ ;
PUBLISHED: 2017, SOURCE: PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, VOLUME: 114, ISSUE: 24
INDEXED IN: Scopus WOS CrossRef: 48
IN MY: ORCID
27
TITLE: Improving the Biodesulfurization of Crude Oil and Derivatives: A QM/MM Investigation of the Catalytic Mechanism of NADH-FMN Oxidoreductase (DszD)
AUTHORS: Sérgio F. Sousa ; Joana F M Sousa; Ana C C Barbosa; Cleide E Ferreira; Neves, Rui P. P. ; Antonio J M Ribeiro ; Pedro A Fernandes ; Maria Joao Ramos ;
PUBLISHED: 2016, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY A, VOLUME: 120, ISSUE: 27
INDEXED IN: Scopus WOS CrossRef: 23
IN MY: ORCID
28
TITLE: Unveiling the Catalytic Mechanism of NADP(+)-Dependent Isocitrate Dehydrogenase with QM/MM Calculations
AUTHORS: Neves, Rui P. P. ; Pedro A Fernandes ; Maria J Ramos ;
PUBLISHED: 2016, SOURCE: ACS CATALYSIS, VOLUME: 6, ISSUE: 1
INDEXED IN: Scopus WOS CrossRef: 23
IN MY: ORCID
29
TITLE: Benchmarking of Density Functionals for the Accurate Description of Thiol-Disulfide Exchange  Full Text
AUTHORS: Neves, Rui P. P. ; Pedro A Fernandes ; Antonio J C Varandas; Maria J Ramos ;
PUBLISHED: 2014, SOURCE: JOURNAL OF CHEMICAL THEORY AND COMPUTATION, VOLUME: 10, ISSUE: 11
INDEXED IN: Scopus WOS CrossRef: 33
IN MY: ORCID
30
TITLE: Influence of the environment on protein bond energies  Full Text
AUTHORS: Joao T S Coimbra ; Neves, Rui P. P. ; Oscar Passos; Daungruthai Jarukanont; Pedro A Fernandes ; Shekhar Patel; Martin E Garcia; Maria J Ramos ;
PUBLISHED: 2014, SOURCE: CHEMICAL PHYSICS LETTERS, VOLUME: 615
INDEXED IN: Scopus WOS CrossRef
IN MY: ORCID
Page 3 of 4. Total results: 33.

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