Rui Pedro Pimenta das Neves
AuthID: R-004-V46
1
TITLE: Mechanism of Polyester Hydrolysis by Marine Bacterium PE-H Enzyme: an Atomistic and Thermodynamic Characterization Full Text
AUTHORS: Nassir, Samah; Paiva, Pedro; Neves, Rui P. P.; Fernandes, Pedro A. ; El Allali, Achraf; Ramos, Maria J.;
PUBLISHED: 2026, SOURCE: JOURNAL OF CHEMICAL INFORMATION AND MODELING, VOLUME: 66, ISSUE: 4
AUTHORS: Nassir, Samah; Paiva, Pedro; Neves, Rui P. P.; Fernandes, Pedro A. ; El Allali, Achraf; Ramos, Maria J.;
PUBLISHED: 2026, SOURCE: JOURNAL OF CHEMICAL INFORMATION AND MODELING, VOLUME: 66, ISSUE: 4
2
TITLE: A Machine Learning-Driven, Probability-Based Approach to Enzyme Catalysis
AUTHORS: Sudip Das; Umberto Raucci; Enrico Trizio; Peilin Kang; Neves, Rui P. P.; Maria Ramos; Michele Parrinello;
PUBLISHED: 2025
AUTHORS: Sudip Das; Umberto Raucci; Enrico Trizio; Peilin Kang; Neves, Rui P. P.; Maria Ramos; Michele Parrinello;
PUBLISHED: 2025
3
TITLE: Correlating Enzymatic Reactivity for Different Substrates using Transferable Data-Driven Collective Variables
AUTHORS: Sudip Das; Umberto Raucci; Neves, Rui P. P.; Maria J Ramos; Michele Parrinello;
PUBLISHED: 2024
AUTHORS: Sudip Das; Umberto Raucci; Neves, Rui P. P.; Maria J Ramos; Michele Parrinello;
PUBLISHED: 2024
4
TITLE: How and When Does an Enzyme React? Unraveling α-Amylase Catalytic Activity with Enhanced Sampling Techniques
AUTHORS: Sudip Das; Umberto Raucci; Neves, Rui P. P.; Maria Ramos; Michele Parrinello;
PUBLISHED: 2023
AUTHORS: Sudip Das; Umberto Raucci; Neves, Rui P. P.; Maria Ramos; Michele Parrinello;
PUBLISHED: 2023
