Search Results - "Orsi, Markus"

One chiral fingerprint to find them all by Orsi, Markus, Reymond, Jean-Louis

“…Molecular fingerprints are indispensable tools in cheminformatics. However, stereochemistry is generally not considered, which is problematic for large…”
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Navigating a 1E+60 Chemical Space of Peptide/Peptoid Oligomers by Orsi, Markus, Reymond, Jean-Louis

“…Herein we report a virtual library of 1E+60 members, a common estimate for the size of the drug-like chemical space. The library consists of linear or cyclic…”
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Using Machine Learning to Predict the Antibacterial Activity of Ruthenium Complexes by Orsi, Markus, Shing Loh, Boon, Weng, Cheng, Ang, Wee Han, Frei, Angelo

“…Rising antimicrobial resistance (AMR) and lack of innovation in the antibiotic pipeline necessitate novel approaches to discovering new drugs. Metal complexes…”
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Leveraging machine learning to streamline the development of liposomal drug delivery systems by Eugster, Remo, Orsi, Markus, Buttitta, Giorgio, Serafini, Nicola, Tiboni, Mattia, Casettari, Luca, Reymond, Jean-Louis, Aleandri, Simone, Luciani, Paola

“…Drug delivery systems efficiently and safely administer therapeutic agents to specific body sites. Liposomes, spherical vesicles made of phospholipid bilayers,…”
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Machine Learning Guided Discovery of Non‐Hemolytic Membrane Disruptive Anticancer Peptides by Zakharova, Elena, Orsi, Markus, Capecchi, Alice, Reymond, Jean‐Louis

“…Most antimicrobial peptides (AMPs) and anticancer peptides (ACPs) fold into membrane disruptive cationic amphiphilic α‐helices, many of which are however also…”
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Chemical Space for Peptide-based Antimicrobials by Orsi, Markus, Personne, Hippolyte, Bonvin, Etienne, Paschoud, Thierry, Olcay, Basak, Hu, Xiaoling, Javor, Sacha, Reymond, Jean-Louis

“…Multidrug-resistant (MDR) bacteria represent a global public health threat, and antimicrobial peptides (AMPs), derived from naturally occurring linear or…”
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Alchemical analysis of FDA approved drugs by Orsi, Markus, Probst, Daniel, Schwaller, Philippe, Reymond, Jean-Louis

“…Chemical space maps help visualize similarities within molecular sets. However, there are many different molecular similarity measures resulting in a confusing…”
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Exploring the Sequence Space of Antimicrobial Peptide Dendrimers by Cai, Xingguang, Capecchi, Alice, Olcay, Basak, Orsi, Markus, Javor, Sacha, Reymond, Jean‐Louis

“…There is an urgent need to develop new antibacterial agents against multidrug resistant bacteria. Herein we report our investigation of antimicrobial peptide…”
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Maschinelles Lernen zur Vorhersage antibakterieller Aktivität von Ruthenium‐Komplexen by Orsi, Markus, Shing Loh, Boon, Weng, Cheng, Ang, Wee Han, Frei, Angelo

“…Die steigende antimikrobielle Resistenz (AMR) und der Mangel an Innovation in der Antibiotikaforschung erfordern neue Ansätze zur Entwicklung von Medikamenten…”
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An intrinsically disordered antimicrobial peptide dendrimer from stereorandomized virtual screening by Cai, Xingguang, Orsi, Markus, Capecchi, Alice, Köhler, Thilo, van Delden, Christian, Javor, Sacha, Reymond, Jean-Louis

“…Membrane-disruptive amphiphilic antimicrobial peptides behave as intrinsically disordered proteins by being unordered in water and becoming α-helical in…”
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