A
Aurélien Grosdidier
Researcher at Swiss Institute of Bioinformatics
Publications - 23
Citations - 7436
Aurélien Grosdidier is an academic researcher from Swiss Institute of Bioinformatics. The author has contributed to research in topics: Docking (molecular) & Virtual screening. The author has an hindex of 20, co-authored 23 publications receiving 5836 citations. Previous affiliations of Aurélien Grosdidier include Ludwig Institute for Cancer Research & University of Lausanne.
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ExPASy: SIB bioinformatics resource portal.
Panu Artimo,Manohar Jonnalagedda,Konstantin Arnold,Delphine Baratin,Gábor Csárdi,Edouard de Castro,Séverine Duvaud,Volker Flegel,Arnaud Fortier,Elisabeth Gasteiger,Aurélien Grosdidier,Céline Hernandez,Vassilios Ioannidis,Dmitry Kuznetsov,Robin Liechti,Sébastien Moretti,Khaled Mostaguir,Nicole Redaschi,Grégoire Rossier,Ioannis Xenarios,Heinz Stockinger +20 more
TL;DR: The new web interface provides, in particular, visual guidance for newcomers to ExPASy, becoming an extensible and integrative portal accessing many scientific resources, databases and software tools in different areas of life sciences.
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SwissParam: a fast force field generation tool for small organic molecules.
TL;DR: A fast force field generation tool, called SwissParam, able to generate, for arbitrary small organic molecule, topologies, and parameters based on the Merck molecular force field, but in a functional form that is compatible with the CHARMM force field is presented.
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SwissDock, a protein-small molecule docking web service based on EADock DSS
TL;DR: SwissDock, a web server dedicated to the docking of small molecules on target proteins, is presented, based on the EADock DSS engine, combined with setup scripts for curating common problems and for preparing both the target protein and the ligand input files.
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SwissTargetPrediction: A web server for target prediction of bioactive small molecules
David Gfeller,Aurélien Grosdidier,Matthias Wirth,Antoine Daina,Olivier Michielin,Vincent Zoete +5 more
TL;DR: SwissTargetPrediction is introduced, a web server to accurately predict the targets of bioactive molecules based on a combination of 2D and 3D similarity measures with known ligands, which can be carried out in five different organisms.
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Fast docking using the CHARMM force field with EADock DSS.
TL;DR: EADock dihedral space sampling (DSS) is built on the most efficient features of EADock2, namely its hybrid sampling engine and multiobjective scoring function, and the CPU time required has been reduced by several orders of magnitude.