Alexandre M. J. J. Bonvin

Orcid: 0000-0001-7369-1322

According to our database1, Alexandre M. J. J. Bonvin authored at least 34 papers between 2006 and 2025.

Collaborative distances:
  • Dijkstra number2 of four.
  • Erdős number3 of four.

Timeline

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Bibliography

2025
HADDOCK3: A Modular and Versatile Platform for Integrative Modeling of Biomolecular Complexes.
J. Chem. Inf. Model., 2025

Toward the Prediction of Binding Events in Very Flexible, Allosteric, Multidomain Proteins.
J. Chem. Inf. Model., 2025

2024
Modeling Protein-Glycan Interactions with HADDOCK.
J. Chem. Inf. Model., 2024

Ranking protein-protein models with large language models and graph neural networks.
CoRR, 2024

2023
DeepRank-GNN: a graph neural network framework to learn patterns in protein-protein interfaces.
Bioinform., January, 2023

2021
Shape-Restrained Modeling of Protein-Small-Molecule Complexes with High Ambiguity Driven DOCKing.
J. Chem. Inf. Model., 2021

Structural biology in the clouds: The WeNMR-EOSC Ecosystem.
CoRR, 2021

MENSAdb: a thorough structural analysis of membrane protein dimers.
Database J. Biol. Databases Curation, 2021

2020
iScore: An MPI supported software for ranking protein-protein docking models based on a random walk graph kernel and support vector machines.
SoftwareX, 2020

Coupling enhanced sampling of the apo-receptor with template-based ligand conformers selection: performance in pose prediction in the D3R Grand Challenge 4.
J. Comput. Aided Mol. Des., 2020

Deep-learning enhancement of large scale numerical simulations.
CoRR, 2020

LightDock goes information-driven.
Bioinform., 2020

iScore: a novel graph kernel-based function for scoring protein-protein docking models.
Bioinform., 2020

proABC-2: PRediction of AntiBody contacts v2 and its application to information-driven docking.
Bioinform., 2020

Computational approaches to therapeutic antibody design: established methods and emerging trends.
Briefings Bioinform., 2020

2019
Holo-like and Druggable Protein Conformations from Enhanced Sampling of Binding Pocket Volume and Shape.
J. Chem. Inf. Model., 2019

Sharing Data from Molecular Simulations.
J. Chem. Inf. Model., 2019

Protein-ligand pose and affinity prediction: Lessons from D3R Grand Challenge 3.
J. Comput. Aided Mol. Des., 2019

Large-scale prediction of binding affinity in protein-small ligand complexes: the PRODIGY-LIG web server.
Bioinform., 2019

PRODIGY-crystal: a web-tool for classification of biological interfaces in protein complexes.
Bioinform., 2019

2018
Performance of HADDOCK and a simple contact-based protein-ligand binding affinity predictor in the D3R Grand Challenge 2.
J. Comput. Aided Mol. Des., 2018

pdb-tools: a swiss army knife for molecular structures.
F1000Research, 2018

2017
Template-based protein-protein docking exploiting pairwise interfacial residue restraints.
Briefings Bioinform., 2017

2016
Combination of Ambiguous and Unambiguous Data in the Restraint-driven Docking of Flexible Peptides with HADDOCK: The Binding of the Spider Toxin PcTx1 to the Acid Sensing Ion Channel (ASIC) 1a.
J. Chem. Inf. Model., 2016

PRODIGY: a web server for predicting the binding affinity of protein-protein complexes.
Bioinform., 2016

2015
DisVis: quantifying and visualizing accessible interaction space of distance-restrained biomolecular complexes.
Bioinform., 2015

2014
HADDOCK<sub>2P2I</sub>: A Biophysical Model for Predicting the Binding Affinity of Protein-Protein Interaction Inhibitors.
J. Chem. Inf. Model., 2014

2012
Dynamic Control of Selectivity in the Ubiquitination Pathway Revealed by an ASP to GLU Substitution in an Intra-Molecular Salt-Bridge Network.
PLoS Comput. Biol., 2012

WeNMR: Structural Biology on the Grid.
J. Grid Comput., 2012

2011

2010
SAMPLEX: Automatic mapping of perturbed and unperturbed regions of proteins and complexes.
BMC Bioinform., 2010

2009
3D-DART: a DNA structure modelling server.
Nucleic Acids Res., 2009

2006
Intramolecular surface contacts contain information about protein-protein interface regions.
Bioinform., 2006

Solvated docking: introducing water into the modelling of biomolecular complexes.
Bioinform., 2006


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