Sergio Ruiz‐Carmona

rDock: A Fast, Versatile and Open Source Program for Docking Ligands to Proteins and Nucleic Acids

Sergio Ruiz‐Carmona, Daniel Álvarez-García, Nicolas Foloppe et al. · PLoS Computational Biology · 2014 · 630 citations · Full text

Drug Target, Hit Identification, Protein Assembly +20

An investigation of structural stability in protein-ligand complexes reveals the balance between order and disorder

Maciej Majewski, Sergio Ruiz‐Carmona, Xavier Barril · Communications Chemistry · 2019 · 115 citations · Full text

The Carbon Footprint of Bioinformatics

Jason Grealey, Loïc Lannelongue, Woei‐Yuh Saw et al. · Molecular Biology and Evolution · 2022 · 101 citations · Full text

Cluster Computing, Engineering, Bioinformatics Database +20

Dynamic undocking and the quasi-bound state as tools for drug discovery

Sergio Ruiz‐Carmona, Peter Schmidtke, F. Javier Luque et al. · Nature Chemistry · 2016 · 92 citations

Quasi-bound State, Drug Repositioning, Engineering +12

Binding mode prediction and MD/MMPBSA-based free energy ranking for agonists of REV-ERBα/NCoR

Yvonne Westermaier, Sergio Ruiz‐Carmona, Isabelle Théret et al. · Journal of Computer-Aided Molecular Design · 2017 · 43 citations

Biochemistry, G Protein-coupled Receptor, Medicine +7