Reymond Research Group

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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The paper Optimizing Antimicrobial Peptide Dendrimers in Chemical Space has been published by Angewandte Chemie. Abstract Here we used nearest neighbor searches in chemical space to improve the activity of antimicrobial peptide dendrimer (AMPD) G3KL and identified dendrimer T7 with an expanded
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The paper Identification of potent and selective small molecule inhibitors of the cation channel TRPM4 has been published by the British Journal of Pharmacology. Abstract Background and Purpose TRPM4 is a calcium‐activated non‐selective cation channel expressed in many tissues and
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The paper An Antimicrobial Bicyclic Peptide from Chemical Space Against Multidrug Resistant Gram-Negative Bacteria has been accepted for publication by Chemical Communications. We used the concept of chemical space to explore a virtual library of bicyclic peptides formed by double thioether cyclization
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The commentary Deep Learning Invades Drug Design and Synthesis has been published by Chimia. Discovering a new drug goes asfollows: given a medical need, identify the underlying biological mechanism, and design a molecule acting via this mechanism to produce the desired effects.
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The paper Structural basis of the molecular ruler mechanism of a bacterial glycosyltransferase has been published by Nature Communications. The membrane-associated, processive and retaining glycosyltransferase PglH from Campylobacter jejuni is part of the biosynthetic pathway of the lipid-linked oligosaccharide (LLO) that serves
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