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Journal of Chemical Information and Modeling
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December 19, 2022
Engineering DszC Mutants from Transition State Macrodipole Considerations and Evolutionary Sequence Analysis
Rui P P Neves, Maria J Ramos, Pedro A Fernandes
Proceedings of the National Academy of Sciences of the United States of America
|
June 1, 2017
Mechanistic insights on the reduction of glutathione disulfide by protein disulfide isomerase
Rui P P Neves, Pedro Alexandrino Fernandes, Maria João Ramos
Journal of Chemical Information and Modeling
|
July 26, 2022
Role of Enzyme and Active Site Conformational Dynamics in the Catalysis by α-Amylase Explored with QM/MM Molecular Dynamics
Rui P P Neves, Pedro A Fernandes, Maria J Ramos
Proceedings of the National Academy of Sciences of the United States of America
|
November 26, 2024
Correlating enzymatic reactivity for different substrates using transferable data-driven collective variables
Sudip Das, Umberto Raucci, Rui P P Neves, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
May 2, 2022
Towards the Accurate Thermodynamic Characterization of Enzyme Reaction Mechanisms
Rui P P Neves, Ana V Cunha, Pedro A Fernandes, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
August 4, 2022
QM/MM Study of the Reaction Mechanism of Thermophilic Glucuronoyl Esterase for Biomass Treatment
Matilde F Viegas, Rui P P Neves, Maria J Ramos, et al.
The Journal of Physical Chemistry. B
|
December 7, 2017
Modeling of Human Fatty Acid Synthase and in Silico Docking of Acyl Carrier Protein Domain and Its Partner Catalytic Domains
Matilde F Viegas, Rui P P Neves, Maria J Ramos, et al.
Physical Chemistry Chemical Physics : PCCP
|
December 2, 2016
A QM/MM study of the reaction mechanism of human β-ketoacyl reductase
Fabiola E Medina, Rui P P Neves, Maria J Ramos, et al.
Journal of Chemical Theory and Computation
|
November 20, 2015
Parameters for Molecular Dynamics Simulations of Manganese-Containing Metalloproteins
Rui P P Neves, Sérgio F Sousa, Pedro A Fernandes, et al.
Journal of Chemical Information and Modeling
|
May 30, 2026
Binding Mechanism of UAMC-1110 to Fibroblast Activation Protein
Joep W Wals, Rui P P Neves, Pedro A Fernandes, et al.
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Search research articles
Search
Showing results (1-10 of 22) with videos related to
Sort By:
Page
of 3
Journal of Chemical Information and Modeling
|
December 19, 2022
Engineering DszC Mutants from Transition State Macrodipole Considerations and Evolutionary Sequence Analysis
Rui P P Neves, Maria J Ramos, Pedro A Fernandes
Proceedings of the National Academy of Sciences of the United States of America
|
June 1, 2017
Mechanistic insights on the reduction of glutathione disulfide by protein disulfide isomerase
Rui P P Neves, Pedro Alexandrino Fernandes, Maria João Ramos
Journal of Chemical Information and Modeling
|
July 26, 2022
Role of Enzyme and Active Site Conformational Dynamics in the Catalysis by α-Amylase Explored with QM/MM Molecular Dynamics
Rui P P Neves, Pedro A Fernandes, Maria J Ramos
Proceedings of the National Academy of Sciences of the United States of America
|
November 26, 2024
Correlating enzymatic reactivity for different substrates using transferable data-driven collective variables
Sudip Das, Umberto Raucci, Rui P P Neves, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
May 2, 2022
Towards the Accurate Thermodynamic Characterization of Enzyme Reaction Mechanisms
Rui P P Neves, Ana V Cunha, Pedro A Fernandes, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
August 4, 2022
QM/MM Study of the Reaction Mechanism of Thermophilic Glucuronoyl Esterase for Biomass Treatment
Matilde F Viegas, Rui P P Neves, Maria J Ramos, et al.
The Journal of Physical Chemistry. B
|
December 7, 2017
Modeling of Human Fatty Acid Synthase and in Silico Docking of Acyl Carrier Protein Domain and Its Partner Catalytic Domains
Matilde F Viegas, Rui P P Neves, Maria J Ramos, et al.
Physical Chemistry Chemical Physics : PCCP
|
December 2, 2016
A QM/MM study of the reaction mechanism of human β-ketoacyl reductase
Fabiola E Medina, Rui P P Neves, Maria J Ramos, et al.
Journal of Chemical Theory and Computation
|
November 20, 2015
Parameters for Molecular Dynamics Simulations of Manganese-Containing Metalloproteins
Rui P P Neves, Sérgio F Sousa, Pedro A Fernandes, et al.
Journal of Chemical Information and Modeling
|
May 30, 2026
Binding Mechanism of UAMC-1110 to Fibroblast Activation Protein
Joep W Wals, Rui P P Neves, Pedro A Fernandes, et al.
Page
of 3