Prof. Jean-Louis Reymond is awarded with the prestigious ERC Advanced Grant. By this means, the European Research Council supports his research projects with 2,5 million Euro over 5 years. Congratulations! Read more in the official media release.
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The paper Structure and mechanism of the ER-based glucosyltransferase ALG6 has been published in Nature. In eukaryotic protein N-glycosylation, a series of glycosyltransferases catalyse the biosynthesis of a dolichylpyrophosphate-linked oligosaccharide before its transfer onto acceptor proteins1. The final seven steps occur in
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The Article Adaptive and mutational responses to peptide dendrimer antimicrobials in Pseudomonas aeruginosa was published in Antimicrobial Agents and Chemotherapy. Colistin (polymyxin E) is a last resort antibiotic against multidrug-resistant isolates of Pseudomonas aeruginosa. However, the nephro-toxicity of colistin limits its use,
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The paper ChEMBL-Likeness Score and Database GDBChEMBL has been published in the Frontiers in Chemistry. The generated database GDB17 enumerates 166.4 billion molecules up to 17 atoms of C, N, O, S and halogens following simple rules of chemical stability and
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The paper Populating Chemical Space with Peptides Using a Genetic Algorithm has been published in the Journal of Chemical Information and Modeling In drug discovery, one uses chemical space as a concept to organize molecules according to their structures and properties. One
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The review Exploring Chemical Space with Machine Learning was recently published in Chimia. Chemical space is a concept to organize molecular diversity by postulating that different molecules occupy different regions of a mathematical space where the position of each molecule is defined
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The paper Mechanistic basis of the inhibition of SLC11/NRAMP-mediated metal ion transport by bis-isothiourea substituted compounds has just been accepted by eLife. In humans, the divalent metal-ion transporter-1 (DMT1) mediates the transport of ferrous iron across the apical membrane of enterocytes.
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Tags: Publications
The paper Randomized SMILES Strings Improve the Quality of Molecular Generative Models has been published by the Journal of Cheminformatics. Recurrent Neural Networks (RNNs) trained with a set of molecules represented as unique (canonical) SMILES strings, have shown the capacity to create
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The paper Datasets and their influence on the development of computer assisted synthesis planning tools in the pharmaceutical domain has just been accepted by Chemical Science. Computer Assisted Synthesis Planning (CASP) has gained considerable interest as of late. Herein we investigate a
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