15 citations · 26 across the 4 of their papers we have counts for
7 papers
Information-Driven Modeling of Biomolecular Complexes
Charlotte W. van Noort, Rodrigo V. Honorato, Alexandre M. J. J. Bonvin
Proteins play crucial roles in every cellular process by interacting with each other, with nucleic acids, metabolites, and other molecules. The resulting assemblies can be very lar…
Towards Increased Reliability, Transparency and Accessibility in Crosslinking Mass Spectrometry
Alexander Leitner, Alexandre M. J. J. Bonvin, Christoph H. Borchers +33
Crosslinking mass spectrometry (Crosslinking MS) has substantially matured as a method over the last two decades through parallel development in multiple labs, demonstrating its ap…
A protocol for information-driven antibody-antigen modelling with the HADDOCK2.4 webserver
Francesco Ambrosetti, Zuzana Jandova, Alexandre M. J. J. Bonvin
In the recent years, therapeutic use of antibodies has seen a huge growth, due to their inherent proprieties and technological advances in the methods used to study and characteriz…
Coupling enhanced sampling of the apo-receptor with template-based ligand conformers selection: Performance in pose prediction in the D3R-GC4
Andrea Basciu, Panagiotis I. Koukos, Giuliano Malloci +2
We report the performance of our newly introduced Ensemble Docking with Enhanced sampling of pocket Shape (EDES) protocol coupled to a template-based algorithm to generate near-nat…
Protein-protein modelling using cryo-EM restraints
Mikael Trellet, Gydo van Zundert, Alexandre M. J. J. Bonvin
The recent improvements in cryo-electron microscopy (cryo-EM) in the past few years are now allowing to observe molecular complexes at atomic resolution. As a consequence, numerous…
Deep-learning enhancement of large scale numerical simulations
Caspar van Leeuwen, Damian Podareanu, Valeriu Codreanu +11
Traditional simulations on High-Performance Computing (HPC) systems typically involve modeling very large domains and/or very complex equations. HPC systems allow running large mod…