Reymond Research Group

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

 The SCS Fall Meeting 2021 will start from 10th September! The chair of the morning session Medicinal Chemistry & Chemical Biology Prof. Jean-Louis Reymond will give us a talk at 11 am! More information: https://fm21.scg.ch >> Contributed Talks

Warmest congratulations to our group member Hippolyte Personne winning the Best Poster Prize in the 8th EFMC Symposium International Symposium on Medicinal Chemistry! Poster topic: X-RAY CRYSTAL STRUCTURES OF SHORT MIXED CHIRALITY A-HELICAL ANTIMICROBIAL PEPTIDES Check more information about his poster: https://www.efmc-ismc.org/

The Reymond Research Group would like to welcome its new group member Markus Orsi.

Our group members will give three poster presentations in the EFMC Symposium International Symposium on Medicinal Chemistry! Xingguang Cai: 1. A STUDY WITH PEPTIDE DENDRIMERS REVEALS AN EXTREME pH DEPENDENCE OF ANTIBIOTIC ACTIVITY ABOVE pH 7.4 2. NON-HEMOLYTIC ANTIMICROBIAL PEPTIDES DESIGNED BY MACHINE LEARNING Hippolyte Personne: 1. X-RAY CRYSTAL

The EFMC Symposium International Symposium on Medicinal Chemistry begins this Sunday! You can expect a great talk from our group member Aline Carrel! Time: Tuesday, August 31 - 11:40 a.m. Topic: Synthesis of New Building Blocks from the Chemical Universe Database GDB. Session 9 'Technologies': Innovative

We are very much looking forward to welcoming you to Prof. Jean-Louis Reymond's talk for ACS Fall 2021, which will be on 24 August (22:35 CET)! Topic: Targeted expansion of the peptide chemical space by enumeration, genetic algorithms, and machine learning. Check out the program now: https: