V
Vincent Zoete
Researcher at Swiss Institute of Bioinformatics
Publications - 155
Citations - 20005
Vincent Zoete is an academic researcher from Swiss Institute of Bioinformatics. The author has contributed to research in topics: T-cell receptor & T cell. The author has an hindex of 43, co-authored 135 publications receiving 12342 citations. Previous affiliations of Vincent Zoete include Ludwig Institute for Cancer Research & University of Lausanne.
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SwissADME: A free web tool to evaluate pharmacokinetics, drug-likeness and medicinal chemistry friendliness of small molecules
TL;DR: The new SwissADME web tool is presented that gives free access to a pool of fast yet robust predictive models for physicochemical properties, pharmacokinetics, drug-likeness and medicinal chemistry friendliness, among which in-house proficient methods such as the BOILED-Egg, iLOGP and Bioavailability Radar are presented.
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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: updated data and new features for efficient prediction of protein targets of small molecules
TL;DR: The 2019 version of SwissTargetPrediction is described, which represents a major update in terms of underlying data, backend and web interface, and high levels of predictive performance were maintained despite more extended biological and chemical spaces to be explored.
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A BOILED-Egg To Predict Gastrointestinal Absorption and Brain Penetration of Small Molecules
Antoine Daina,Vincent Zoete +1 more
TL;DR: The Brain Or IntestinaL EstimateD permeation method (BOILED‐Egg) is proposed as an accurate predictive model that works by computing the lipophilicity and polarity of small molecules.