João T. S. Coimbra

According to our database, João T. S. Coimbra authored at least 4 papers between 2013 and 2023.

Collaborative distances:

• Dijkstra number of six.
• Erdős number of five.

2023

Deciphering the Catalytic Mechanism of Virginiamycin B Lyase with Multiscale Methods and Molecular Dynamics Simulations.

João T. S. Coimbra, Pedro Alexandrino Fernandes, Maria João Ramos

J. Chem. Inf. Model., October, 2023

2022

Transmembrane Protease Serine 2 Proteolytic Cleavage of the SARS-CoV-2 Spike Protein: A Mechanistic Quantum Mechanics/Molecular Mechanics Study to Inspire the Design of New Drugs To Fight the COVID-19 Pandemic.

Luís M. C. Teixeira, João T. S. Coimbra, Maria João Ramos, Pedro Alexandrino Fernandes

J. Chem. Inf. Model., 2022

2017

New Parameters for Higher Accuracy in the Computation of Binding Free Energy Differences upon Alanine Scanning Mutagenesis on Protein-Protein Interfaces.

Inês C. M. Simões, Inês P. D. Costa, João T. S. Coimbra, Maria João Ramos, Pedro Alexandrino Fernandes

J. Chem. Inf. Model., 2017

2013

Comparative analysis of the performance of commonly available density functionals in the determination of geometrical parameters for copper complexes.

Sérgio Filipe Sousa, Gaspar R. P. Pinto, António J. M. Ribeiro, João T. S. Coimbra, Pedro Alexandrino Fernandes, Maria João Ramos

J. Comput. Chem., 2013