João Pglm Rodrigues

11PUBLICATIONS
45CO-AUTHORS
Biomolecular modelling and designBioinformatic methods developmentComputer aided designAnimal protection (incl. pests and pathogens)Veterinary virology
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Publications (11)

|Oct 01, 2026
Structural Plasticity and Ligand Promiscuity of CYP3A4 Revealed by Cryo-EM.

|Feb 16, 2026
Accurate Physics-Based Flexible Docking of Macrocyclic Ligands.

Jacob Robson-Tull, João P G L M Rodrigues

|Sep 12, 2025
Towards better structural models from cryo-electron microscopy data with physics-based methods.

Hande Boyaci Selcuk, Gabriella Reggiano, Jacob Robson-Tull

|Dec 28, 2023
OpenMM 8: Molecular Dynamics Simulation with Machine Learning Potentials.

Peter Eastman, Raimondas Galvelis, Raúl P Peláez

|Dec 15, 2023
Using AlphaFold and Experimental Structures for the Prediction of the Structure and Binding Affinities of GPCR Complexes via Induced Fit Docking and Free Energy Perturbation.

Dilek Coskun, Muyun Lihan, João P G L M Rodrigues

|Nov 17, 2021
Predicting the zoonotic capacity of mammals to transmit SARS-CoV-2.

Ilya R Fischhoff, Adrian A Castellanos, João P G L M Rodrigues

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Frequent Collaborators

5 joint publications

João Mc Teixeira

3 joint publications

Susana Barrera-Vilarmau

3 joint publications

Panagiotis L Kastritis

2 joint publications

Alexandre M J J Bonvin