Alexandre M. J. J. Bonvin
109 papers found
Sharing Data from Molecular Simulations
The solution structure of the kallikrein-related peptidases inhibitor SPINK6
Structure-Function Relationships of Antimicrobial Peptides and Proteins with Respect to Contact Molecules on Pathogen Surfaces.
Updates to the Integrated Protein–Protein Interaction Benchmarks: Docking Benchmark Version 5 and Affinity Benchmark Version 2
Extended O-GlcNAc on HLA Class-I-Bound Peptides
Contacts-based prediction of binding affinity in protein–protein complexes
Future opportunities and trends for e-infrastructures and life sciences: going beyond the grid to enable life science data analysis
Dynamic binding mode of a Synaptotagmin-1–SNARE complex in solution
DisVis: quantifying and visualizing accessible interaction space of distance-restrained biomolecular complexes: Fig. 1.
Non-interacting surface solvation and dynamics in protein-protein interactions: Surface Solvation Effects in Protein Binding
Information-Driven Modeling of Protein-Peptide Complexes
Binding Hotspots of BAZ2B Bromodomain: Histone Interaction Revealed by Solution NMR Driven Docking
Sequence co-evolution gives 3D contacts and structures of protein complexes
Information-Driven Structural Modelling of Protein–Protein Interactions
NMR-Based Modeling and Refinement of Protein 3D Structures
Proteins Feel More Than They See: Fine-Tuning of Binding Affinity by Properties of the Non-Interacting Surface
Information-driven modeling of large macromolecular assemblies using NMR data
Integrative computational modeling of protein interactions
HADDOCK2P2I: A Biophysical Model for Predicting the Binding Affinity of Protein–Protein Interaction Inhibitors
Insight into cyanobacterial circadian timing from structural details of the KaiB-KaiC interaction
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