The HADDOCK2. 2 web server: user-friendly integrative modeling of biomolecular complexes GCP Van Zundert, J Rodrigues, M Trellet, C Schmitz, PL Kastritis, ... Journal of molecular biology 428 (4), 720-725, 2016 | 2503 | 2016 |
A unified conformational selection and induced fit approach to protein-peptide docking M Trellet, ASJ Melquiond, AMJJ Bonvin PloS one 8 (3), e58769, 2013 | 189 | 2013 |
Prediction of homoprotein and heteroprotein complexes by protein docking and template‐based modeling: a CASP‐CAPRI experiment MF Lensink, S Velankar, A Kryshtafovych, SY Huang, ... Proteins: Structure, Function, and Bioinformatics 84, 323-348, 2016 | 168 | 2016 |
Building macromolecular assemblies by information-driven docking E Karaca, ASJ Melquiond, SJ De Vries, PL Kastritis, AMJJ Bonvin Molecular & Cellular Proteomics 9 (8), 1784-1794, 2010 | 155 | 2010 |
Performance of HADDOCK and a simple contact-based protein–ligand binding affinity predictor in the D3R Grand Challenge 2 Z Kurkcuoglu, PI Koukos, N Citro, ME Trellet, J Rodrigues, IS Moreira, ... Journal of computer-aided molecular design 32, 175-185, 2018 | 122 | 2018 |
Clustering biomolecular complexes by residue contacts similarity JP Rodrigues, M Trellet, C Schmitz, P Kastritis, E Karaca, ASJ Melquiond, ... Proteins: Structure, Function, and Bioinformatics 80 (7), 1810-1817, 2012 | 122 | 2012 |
Blind prediction of homo‐and hetero‐protein complexes: The CASP13‐CAPRI experiment MF Lensink, G Brysbaert, N Nadzirin, S Velankar, RAG Chaleil, T Gerguri, ... Proteins: Structure, Function, and Bioinformatics 87 (12), 1200-1221, 2019 | 120 | 2019 |
Role of the region 23-28 in Aβ fibril formation: insights from simulations of the monomers and dimers of Alzheimer's peptides Aβ40 and Aβ42 A Melquiond, X Dong, N Mousseau, P Derreumaux Current Alzheimer Research 5 (3), 244-250, 2008 | 111 | 2008 |
Insight into cyanobacterial circadian timing from structural details of the KaiB–KaiC interaction J Snijder, RJ Burnley, A Wiegard, ASJ Melquiond, AMJJ Bonvin, ... Proceedings of the National Academy of Sciences 111 (4), 1379-1384, 2014 | 90 | 2014 |
Integrative modeling of biomolecular complexes: HADDOCKing with cryo-electron microscopy data GCP van Zundert, ASJ Melquiond, AMJJ Bonvin Structure 23 (5), 949-960, 2015 | 78 | 2015 |
Defining the limits of homology modeling in information‐driven protein docking J Rodrigues, ASJ Melquiond, E Karaca, M Trellet, M Van Dijk, ... Proteins: Structure, Function, and Bioinformatics 81 (12), 2119-2128, 2013 | 76 | 2013 |
dMM-PBSA: a new HADDOCK scoring function for protein-peptide docking D Spiliotopoulos, PL Kastritis, ASJ Melquiond, AMJJ Bonvin, G Musco, ... Frontiers in molecular biosciences 3, 46, 2016 | 73 | 2016 |
Following the aggregation of amyloid-forming peptides by computer simulations A Melquiond, G Boucher, N Mousseau, P Derreumaux The Journal of chemical physics 122 (17), 2005 | 68 | 2005 |
Structures of soluble amyloid oligomers from computer simulations A Melquiond, N Mousseau, P Derreumaux PROTEINS: Structure, Function, and Bioinformatics 65 (1), 180-191, 2006 | 65 | 2006 |
Blind prediction of interfacial water positions in CAPRI MF Lensink, IH Moal, PA Bates, PL Kastritis, ASJ Melquiond, E Karaca, ... Proteins: Structure, Function, and Bioinformatics 82 (4), 620-632, 2014 | 62 | 2014 |
Sense and simplicity in HADDOCK scoring: Lessons from CASP‐CAPRI round 1 A Vangone, J Rodrigues, LC Xue, GCP Van Zundert, C Geng, ... Proteins: Structure, Function, and Bioinformatics 85 (3), 417-423, 2017 | 57 | 2017 |
Strengths and weaknesses of data‐driven docking in critical assessment of prediction of interactions SJ de Vries, ASJ Melquiond, PL Kastritis, E Karaca, A Bordogna, ... Proteins: Structure, Function, and Bioinformatics 78 (15), 3242-3249, 2010 | 53 | 2010 |
Probing amyloid fibril formation of the NFGAIL peptide by computer simulations A Melquiond, JC Gelly, N Mousseau, P Derreumaux The Journal of chemical physics 126 (6), 2007 | 44 | 2007 |
Enhancers reside in a unique epigenetic environment during early zebrafish development LJT Kaaij, M Mokry, M Zhou, M Musheev, G Geeven, ASJ Melquiond, ... Genome biology 17, 1-15, 2016 | 41 | 2016 |
Next challenges in protein–protein docking: from proteome to interactome and beyond ASJ Melquiond, E Karaca, PL Kastritis, AMJJ Bonvin Wiley Interdisciplinary Reviews: Computational Molecular Science 2 (4), 642-651, 2012 | 33 | 2012 |