User profiles for J. Roel-Touris
Jorge Roel-TourisEMBO postdoctoral fellow Verified email at ibmb.csic.es Cited by 820 |
Prediction of protein assemblies, the next frontier: The CASP14‐CAPRI experiment
…, CW Van Noort, M Réau, J Roel‐Touris… - Proteins: Structure …, 2021 - Wiley Online Library
We present the results for CAPRI Round 50, the fourth joint CASP‐CAPRI protein assembly
prediction challenge. The Round comprised a total of twelve targets, including six dimers, …
prediction challenge. The Round comprised a total of twelve targets, including six dimers, …
[HTML][HTML] Performance of HADDOCK and a simple contact-based protein–ligand binding affinity predictor in the D3R Grand Challenge 2
We present the performance of HADDOCK, our information-driven docking software, in the
second edition of the D3R Grand Challenge. In this blind experiment, participants were …
second edition of the D3R Grand Challenge. In this blind experiment, participants were …
Blind prediction of homo‐and hetero‐protein complexes: The CASP13‐CAPRI experiment
…, X Zou, PI Koukos, J Roel‐Touris… - Proteins: Structure …, 2019 - Wiley Online Library
We present the results for CAPRI Round 46, the third joint CASP‐CAPRI protein assembly
prediction challenge. The Round comprised a total of 20 targets including 14 homo‐oligomers …
prediction challenge. The Round comprised a total of 20 targets including 14 homo‐oligomers …
Finding the ΔΔG spot: Are predictors of binding affinity changes upon mutations in protein–protein interactions ready for it?
Predicting the structure and thermodynamics of protein–protein interactions (PPIs) are key
to a proper understanding and modulation of their function. Since experimental methods …
to a proper understanding and modulation of their function. Since experimental methods …
LightDock: a new multi-scale approach to protein–protein docking
B Jiménez-García, J Roel-Touris… - …, 2018 - academic.oup.com
… t i j between g i and g j . As for the rotational movement, the movement in the quaternion
space is calculated using the spherical linear interpolation (SLERP) (Morrison and Jack, 1992) …
space is calculated using the spherical linear interpolation (SLERP) (Morrison and Jack, 1992) …
[HTML][HTML] De novo design of immunoglobulin-like domains
Antibodies, and antibody derivatives such as nanobodies, contain immunoglobulin-like (Ig)
β-sandwich scaffolds which anchor the hypervariable antigen-binding loops and constitute …
β-sandwich scaffolds which anchor the hypervariable antigen-binding loops and constitute …
Impact of AlphaFold on structure prediction of protein complexes: the CASP15‐CAPRI experiment
We present the results for CAPRI Round 54, the 5th joint CASP‐CAPRI protein assembly
prediction challenge. The Round offered 37 targets, including 14 homodimers, 3 homo‐trimers, …
prediction challenge. The Round offered 37 targets, including 14 homodimers, 3 homo‐trimers, …
[PDF][PDF] Modeling antibody-antigen complexes by information-driven docking
Antibodies are Y-shaped proteins essential for immune response. Their capability to recognize
antigens with high specificity makes them excellent therapeutic targets. Understanding …
antigens with high specificity makes them excellent therapeutic targets. Understanding …
Less is more: coarse-grained integrative modeling of large biomolecular assemblies with HADDOCK
J Roel-Touris, CG Don, R V. Honorato… - Journal of chemical …, 2019 - ACS Publications
Predicting the 3D structure of protein interactions remains a challenge in the field of
computational structural biology. This is in part due to difficulties in sampling the complex energy …
computational structural biology. This is in part due to difficulties in sampling the complex energy …
The gutSMASH web server: automated identification of primary metabolic gene clusters from the gut microbiota
V Pascal Andreu, J Roel-Touris, D Dodd… - Nucleic acids …, 2021 - academic.oup.com
Anaerobic bacteria from the human microbiome produce a wide array of molecules at high
concentrations that can directly or indirectly affect the host. The production of these molecules…
concentrations that can directly or indirectly affect the host. The production of these molecules…