Reymond Research Group

University of Bern


News

A probabilistic molecular fingerprint for big data settings

Tags: Publications

The paper A probabilistic molecular fingerprint for big data settings has been published by the Journal of Cheminformatics. Background Among the various molecular fingerprints available to describe small organic molecules, extended connectivity fingerprint, up to four bonds (ECFP4) performs best in benchmarking
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Web-Based Tools for Polypharmacology Prediction

Web-Based Tools for Polypharmacology Prediction has been published as a book chapter in Systems Chemical Biology by Humana Press. Abstract Drug promiscuity or polypharmacology is the ability of small molecules to interact with multiple protein targets simultaneously. In drug discovery, understanding the
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Exploring DrugBank in Virtual Reality Chemical Space

Tags: Publications

The article Exploring DrugBank in Virtual Reality Chemical Space has been published by the Journal of Chemical Information and Modeling. Abstract The recent general availability of low-cost virtual reality headsets and accompanying three-dimensional (3D) engine support presents an opportunity to bring the
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Synthesis of Lipid-Linked Oligosaccharides (LLOs) and Their Phosphonate Analogues as Probes To Study Protein Glycosylation Enzymes

Tags: Publications, Reviews

The review Synthesis of Lipid-Linked Oligosaccharides (LLOs) and Their Phosphonate Analogues as Probes To Study Protein Glycosylation Enzymes has been published by Synthesis. Abstract Here we review chemical and chemoenzymatic methods for the synthesis of lipid-linked oligosaccharides (LLOs) and their phosphonate analogues,
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