Rui P. P. Neves

According to our database, Rui P. P. Neves authored at least 5 papers between 2020 and 2026.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of four.

2026

Mechanism of Polyester Hydrolysis by Marine Bacterium PE-H Enzyme: an Atomistic and Thermodynamic Characterization.

Samah Nassir, Pedro Paiva, Rui P. P. Neves, Pedro Alexandrino Fernandes, Achraf El Allali, Maria João Ramos

J. Chem. Inf. Model., 2026

2024

DszA Catalyzes C-S Bond Cleavage through N⁵-Hydroperoxyl Formation.

Pedro Ferreira, Rui P. P. Neves, Filipa P. Miranda, Ana V. Cunha, Remco W. A. Havenith, Maria João Ramos, Pedro Alexandrino Fernandes

J. Chem. Inf. Model., 2024

2023

Engineering DszC Mutants from Transition State Macrodipole Considerations and Evolutionary Sequence Analysis.

Rui P. P. Neves, Maria João Ramos, Pedro Alexandrino Fernandes

J. Chem. Inf. Model., 2023

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 Alexandrino Fernandes, Maria João Ramos

J. Chem. Inf. Model., 2022

2020

A Computational and Modeling Study of the Reaction Mechanism of Staphylococcus aureus Monoglycosyltransferase Reveals New Insights on the GT51 Family of Enzymes.

Kenneth Goossens, Rui P. P. Neves, Pedro Alexandrino Fernandes, Hans De Winter

J. Chem. Inf. Model., 2020