A
Adrien S. J. Melquiond
Researcher at Utrecht University
Publications - 31
Citations - 3329
Adrien S. J. Melquiond is an academic researcher from Utrecht University. The author has contributed to research in topics: Macromolecular docking & Molecular Docking Simulation. The author has an hindex of 21, co-authored 31 publications receiving 2460 citations. Previous affiliations of Adrien S. J. Melquiond include University of Paris & University Medical Center Utrecht.
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Journal ArticleDOI
The HADDOCK2.2 Web Server: User-Friendly Integrative Modeling of Biomolecular Complexes.
G. C. P. van Zundert,João P. G. L. M. Rodrigues,Mikael Trellet,Christophe Schmitz,Panagiotis L. Kastritis,Ezgi Karaca,Adrien S. J. Melquiond,M. van Dijk,S.J. de Vries,Alexandre M. J. J. Bonvin +9 more
TL;DR: The updated version 2.2.2 of the HADDOCK portal is presented, which offers new features such as support for mixed molecule types, additional experimental restraints and improved protocols, all of this in a user-friendly interface.
Journal ArticleDOI
A unified conformational selection and induced fit approach to protein-peptide docking
TL;DR: An ensemble, flexible protein-peptide docking protocol that combines conformational selection and induced fit mechanisms that should open the route to the modeling of challenging systems such as disorder-order transitions taking place upon binding, significantly expanding the applicability limit of biomolecular interaction modeling by docking.
Journal ArticleDOI
Prediction of homoprotein and heteroprotein complexes by protein docking and template-based modeling: A CASP-CAPRI experiment.
Marc F. Lensink,Sameer Velankar,Andriy Kryshtafovych,Shen You Huang,Dina Schneidman-Duhovny,Andrej Sali,Joan Segura,Narcis Fernandez-Fuentes,Shruthi Viswanath,Ron Elber,Sergei Grudinin,Petr Popov,Emilie Neveu,Hasup Lee,Minkyung Baek,Sangwoo Park,Lim Heo,Gyu Rie Lee,Chaok Seok,Sanbo Qin,Huan-Xiang Zhou,David W. Ritchie,Bernard Maigret,Marie-Dominique Devignes,Anisah W. Ghoorah,Mieczyslaw Torchala,Raphael A. G. Chaleil,Paul A. Bates,Efrat Ben-Zeev,Miriam Eisenstein,Surendra S. Negi,Zhiping Weng,Thom Vreven,Brian G. Pierce,Tyler M. Borrman,Jinchao Yu,Françoise Ochsenbein,Raphael Guerois,Anna Vangone,João P. G. L. M. Rodrigues,Gydo C. P. van Zundert,Mehdi Nellen,Li C. Xue,Ezgi Karaca,Adrien S. J. Melquiond,Koen M. Visscher,Panagiotis L. Kastritis,Alexandre M. J. J. Bonvin,Xianjin Xu,Liming Qiu,Chengfei Yan,Jilong Li,Zhiwei Ma,Jianlin Cheng,Xiaoqin Zou,Yang Shen,Lenna X. Peterson,Hyung Rae Kim,Amit Roy,Amit Roy,Xusi Han,Juan Esquivel-Rodríguez,Daisuke Kihara,Xiaofeng Yu,Neil J. Bruce,Jonathan C. Fuller,Rebecca C. Wade,Ivan Anishchenko,Petras J. Kundrotas,Ilya A. Vakser,Kenichiro Imai,Kazunori D. Yamada,Toshiyuki Oda,Tsukasa Nakamura,Kentaro Tomii,Chiara Pallara,Miguel Romero-Durana,Brian Jiménez-García,Iain H. Moal,Juan Fernández-Recio,Jong Young Joung,Jong Yun Kim,Keehyoung Joo,Jooyoung Lee,Jooyoung Lee,Dima Kozakov,Sandor Vajda,Scott E. Mottarella,David R. Hall,Dmitri Beglov,Artem B. Mamonov,Bing Xia,Tanggis Bohnuud,Carlos A. Del Carpio,Carlos A. Del Carpio,Eichiro Ichiishi,Nicholas A. Marze,Daisuke Kuroda,Shourya S. Roy Burman,Jeffrey J. Gray,Edrisse Chermak,Luigi Cavallo,Romina Oliva,Andrey Tovchigrechko,Shoshana J. Wodak +104 more
TL;DR: Results show that the prediction of homodimer assemblies by homology modeling techniques and docking calculations is quite successful for targets featuring large enough subunit interfaces to represent stable associations, and that docking procedures tend to perform better than standard homology modeled techniques.
Journal ArticleDOI
Building Macromolecular Assemblies by Information-driven Docking INTRODUCING THE HADDOCK MULTIBODY DOCKING SERVER
Ezgi Karaca,Adrien S. J. Melquiond,Sjoerd J. de Vries,Panagiotis L. Kastritis,Alexandre M. J. J. Bonvin +4 more
TL;DR: The High Ambiguity-Driven DOCKing (HADDOCK) as mentioned in this paper is one of the most popular methods for multibody docking, which can deal with multiple molecules simultaneously.
Journal ArticleDOI
Clustering biomolecular complexes by residue contacts similarity.
João P. G. L. M. Rodrigues,Mikael Trellet,Christophe Schmitz,Panagiotis L. Kastritis,Ezgi Karaca,Adrien S. J. Melquiond,Alexandre M. J. J. Bonvin +6 more
TL;DR: A simple similarity measure for structural clustering based on atomic contacts—the fraction of common contacts—is presented and it is shown that this method produces very compact clusters in remarkably short time when applied to a collection of binary and multicomponent protein–protein and protein–DNA complexes.