580 citations · 607 across the 7 of their papers we have counts for
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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…