Reymond Research Group

The SCS Fall Meeting 2022 successfully took place on September 8 at University Zurich! The SCS Fall Meeting is the major regularly organized event of the Swiss Chemical Society and one of the largest annual research conferences in Switzerland. For decades, the SCS Fall Meeting has been a great platform

Congratulations to our group member Hippolyte Personne winning one of the three Best Poster Presentation Awards at the Peptide Therapeutics Forum Basel 2022! Poster topic: X-ray Structures of Mixed-chirality α-Helical Antimicrobial Peptides Check more information: https://ptf22.scg.ch

Our paper Discovery of novel drug-like antitubercular hits targeting the MEP pathway enzyme DXPS by strategic application of ligand-based virtual screening is now published online in RSC Chemical Science! This work reports the use of in-house built 3D (xLOS) and 2D (Xfp) ligand based virtual screeining approaches (LBVS) for the

Our paper Machine Learning Guided Discovery of Non-Hemolytic Membrane Disruptive Anticancer Peptides is now published in ChemMedChem! Abstract: Most antimicrobial peptides (AMPs) and anticancer peptides (ACPs) fold into membrane disruptive cationic amphiphilic α-helices, many of which are however also unpredictably hemolytic and toxic. Here we exploited the ability of recurrent

Our paper Rotavirus Spike Protein VP4 Mediates Viroplasm Assembly by Association to Actin Filaments is now published in Journal of Virology! The Institute of Virology, Zurich in collaboration with us performed this research study. With a peptide mimicking loop K145-G150 of VP4 of rotavirus, we were able to link spike

The 2022 Swiss Summer School in Chemical Biology will take place on Sept 11-15, in Les Diablerets, Switzerland. It aims to provide PhD students, Post-Docs and industrial scientists from Switzerland and abroad with an interactive seminar week in beautiful alpine settings to expand their scientific horizon with latest developments, present

BEILSTEIN BOZEN SYMPOSIUM (SIMULATION AND AI IN THE FUTURE OF SCIENCE) is taking place in Rüdesheim, Germany from May 17 to 19, 2022. The non-profit Beilstein-Institut is one of the most respected organizations in the communication and dissemination of high-quality information in chemistry. The Beilstein Symposia address contemporary issues in

The Reymond Research Group would like to welcome its new group members: Bee Ha Gan (Post-Doctoral Researcher) and Jérémie Reusser (Ph.D. Student).

AIDD (Advanced Machine Learning for Innovative Drug Discovery) is a European Project which aims at training and preparing a new generation of scientists who have skills both in machine learning and in chemistry and can advance medicinal chemistry. The AIDD Summer School on advanced Machine Learning for Drug Discovery is

Our paper Automatic Extraction of Reaction Templates for Synthesis Prediction is now published in Chimia! Keywords: Computer Aided Synthesis Planning, Computational Chemistry, Reaction informatics, Retrosynthesis. Abstract: Several tools for the computational planning of synthetic routes have been developed over the last 60 years. Traditionally these have been built on manually

The Spring Meeting of the Swiss Chemical Society, taking place Friday, April 22, in Geneva. Topic: Biosupramolecular Chemistry Non-covalent interactions are increasingly embraced as a central design principle in research areas beyond host-guest chemistry, the cradles of supramolecular chemistry. The biosupramolecular theme of this spring meeting tributes the roots of

Our paper Reaction classification and yield prediction using the differential reaction fingerprint DRFP (Daniel Probst, Philippe Schwaller and Jean-Louis Reymond, 2022, 1, 91-97, doi.org/10.1039/D1DD00006C) has been chosen to be featured on the cover of the April issue of RSC Digital Discovery. The paper is available here.

AMLD (Applied Machine Learning Days) AI & the Molecular World organized by EPFL is going to take place on March 30. Track spotlight - How will AI help us to design the small molecules and proteins of tomorrow? Markus Orsi from our group will give us a talk: Machine Learning

The Reymond Research Group would like to welcome its new group members: Samuel Yasmin (Ph.D. Student) and Maria-Cristina Ardelean (Visiting Ph.D. Student).

Our paper Reaction Classification and Yield Prediction using the Differential Reaction Fingerprint DRFP is now published online in RSC Digital Discovery! The work is about the development of differential reaction fingerprint DRFP and how it performs compared to other fingerprints, such as the DFT-based fingerprints and the deep learning-based fingerprints.

The Reymond group wishes you a Merry Christmas and a Happy New Year 2022!

Our paper A mixed chirality α-helix in a stapled bicyclic and a linear antimicrobial peptide revealed by X-ray crystallography (David Stéphane Baeriswyl, Hippolyte Personne, Ivan Di Bonaventura, Thilo Köhler, Christian van Delden, Achim Stocker, Sacha Javor and Jean-Louis Reymond, 2021, 2, 1608-1617, doi.org/10.1039/D1CB00124H) has been chosen

6th SCS-Syngenta Symposium 2021 will take place online on Nov 26. Get some exciting new ideas from our two flash posters from our group: * Mario de Capitani: The synthesis of Fluorescent Lipid Linked Oligosaccharides for applications in chemical and structural biology * Xingguang Cai: The antibacterial activity of peptide dendrimers and

There are currently two PhD positions open in our group. You can find details here.

Our paper Classifying natural products from plants, fungi or bacteria using the COCONUT database and machine learning is now published in Journal of Cheminformatics! The work is about distinguishing between natural products from plants, fungi, and bacteria using COCONUT, machine learning, and chemical space mapping. Abstract: Natural products (NPs) represent

Check our latest paper An Immunomodulatory Peptide Dendrimer Inspired from Glatiramer Acetate published in the Journal of Angewandte Chemie! It is the first example of an immunomodulatory molecule designed as an analog of Glatiramer acetate. Glatiramer acetate (GA) is a random polypeptide drug used to treat multiple sclerosis (MS), a

RDKit UGM is going to take place this Thursday and Friday (Oct. 14 and 15)! RDKit is an important Open-Source Cheminformatics and Machine Learning tool that has been frequently used in the cheminformatics field. Amol Thakkar from our group will give us a talk: Browser-based exploration of the GDB #chemical

BIG Congratulations to the Best Oral Presentation Award Winner Amol Thakkar and the Best Poster Presentation Runner-Up Awardee Xingguang Cai from our group at the SCS Fall Meeting 2021! THANK Swiss Chemical Society and all other contributions for making this event a great success! Amol Thakkar Contributed Talk Topic: Computational

Check our latest paper A mixed chirality α-helix in a stapled bicyclic and a linear antimicrobial peptide revealed by X-ray crystallography published in the Journal of RSC Chemical Biology! It is the first evidence of alpha-helix in both bicyclic and linear mixed chirality antimicrobial peptides only containing natural amino acids

The 13th workshop in Cheminformatics will take place this Friday in the ‘Refuge du Laviau’. Enjoy the view on the Geneva lake and get some exciting new ideas from the talks given by David Kreutter, Amol Thakkar and Philippe Schwaller! More information： https://www.zakodium.com 10h50 - 11h00 David