João Rodrigues

The HADDOCK2.2 Web Server: User-Friendly Integrative Modeling of Biomolecular Complexes

Gydo C. P. van Zundert, João Rodrigues, Mikaël Trellet et al. · Journal of Molecular Biology · 2015 · 3K citations · Full text

Life Sciences, Bioinformatics, Biophysics +16

OpenMM 8: Molecular Dynamics Simulation with Machine Learning Potentials

Peter Eastman, Raimondas Galvelis, Raúl P. Peláez et al. · The Journal of Physical Chemistry B · 2023 · 469 citations · Full text

Natural Sciences, Biophysics, Chemistry +17

Structural insights into binding specificity, efficacy and bias of a β2AR partial agonist

Matthieu Masureel, Yaozhong Zou, Louis-Philippe Picard et al. · Nature Chemical Biology · 2018 · 203 citations · Full text

Medicine, Medicinal Chemistry, Pharmacology +14

pdb-tools: a swiss army knife for molecular structures

João Rodrigues, João M. C. Teixeira, Mikaël Trellet et al. · F1000Research · 2018 · 168 citations · Full text

Life Sciences, Biochemistry, Bioinformatics +11

Prediction of homoprotein and heteroprotein complexes by protein docking and template‐based modeling: A CASP‐CAPRI experiment

Marc F. Lensink, Sameer Velankar, Andriy Kryshtafovych et al. · Proteins Structure Function and Bioinformatics · 2016 · 164 citations · Full text

Life Sciences, Biochemistry, Bioinformatics +17