Reymond Research Group

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:

Don't miss the talk from Alice Capecchi at the ACS Fall 2021 meeting! It will take place on 23 August (Tomorrow Evening!) in a virtual room: [CINF] Division of Chemical Information Zoom Room 03. You can find the program here: https://acs.digitellinc.com/acs/live/21/page/

Our group member Xingguang Cai will give a poster presentation in Peptide Therapeutics Forum 2021 on 19 August! For more information about this conference check: https://ptf21.scg.ch/online-conference-information Enter the poster sessions directly: https://ptf21.scg.ch/program1/poster-session View the related paper via the link below: https:

The paper Inhibitors of human divalent metal transporters DMT1 (SLC11A2) and ZIP8 (SLC39A8) from a GDB-17 fragment library has been accepted for publication in the Journal of ChemMedChem! Solute carrier proteins (SLCs) are membrane proteins controlling fluxes across biological membranes and represent an emerging class of drug targets. Here we

Our paper Predicting enzymatic reactions with a molecular transformer (David Kreutter, Philippe Schwaller and Jean-Louis Reymond, Chem. Sci., 2021, doi:10.1039/D1SC02362D) has been chosen to be featured on the cover of the July issue of Chemical Science. The paper is available here. The use of enzymes for organic

Congratulations to our former group member Dr. Philippe Schwaller, who currently works as postdoctoral researcher at IBM Research Europe, to his appointment to the EPFL as Tenure Track Assistant Professor of Chemistry at the School of Basic Sciences! https://www.ethrat.ch/en/media/releases/appointments-july21

Read our review article on peptide dendrimers that's published in Chimia: "Peptide Dendrimers: From Enzyme Models to Antimicrobials and Transfection Reagents". Aiming at studying cooperativity effects between amino acids in easily accessible protein models, we have explored the chemistry of peptide dendrimers, which we obtain as

The research article "Machine Learning Designs Non-Hemolytic Antimicrobial Peptides" just got published in Chemical Science! Antimicrobial peptides (AMPs) offer a unique opportunity to address antibiotic resistance, which is one of the major global public health threats. Most AMPs are membrane disruptive amphiphiles, and unfortunately, this activity is often

The research article "Predicting Enzymatic Reactions with a Molecular Transformer" just got published in Chemical Science! The use of enzymes for organic synthesis allows for simplified, more economical and selective synthetic routes not accessible to conventional reagents. However, predicting whether a particular molecule might undergo a specific enzyme

The research article "Prediction of chemical reaction yields using deep learning" was recently published in Machine Learning: Science and Technology. Artificial intelligence is driving one of the most important revolutions in organic chemistry. Multiple platforms, including tools for reaction prediction and synthesis planning based on machine learning, have

The research article "The antibacterial activity of peptide dendrimers and polymyxin B increases sharply above pH 7.4" was recently published in Chemical Communications. pH-activity profiling reveals that antimicrobial peptide dendrimers (AMPDs) kill Klebsiella pneumoniae and Methicillin-resistant Staphylococcus aureus (MRSA) at pH 8.0, against which they are

Our research article regarding discovery of a novel and selective Janus Kinase inhibitor was selected by the editorial board of SYNFACTS for its important insights into chemical synthesis! The full article can be found here. Congratulations to all contributors!

The research article "Extraction of organic chemistry grammar from unsupervised learning of chemical reactions" was recently published in Nature Advances. Humans use different domain languages to represent, explore, and communicate scientific concepts. During the last few hundred years, chemists compiled the language of chemical synthesis inferring a series

The Review article "Peptides in chemical space" was recently published in Medicine in Drug Discovery. The chemical space of peptides represents an extremely large reservoir of potentially bioactive compounds. Recent advances in computer hardware and software have led to a wide application of computational methods to explore this

The research article "Mapping the space of chemical reactions using attention-based neural networks" was just published in Nature Machine Intelligence. Organic reactions are usually assigned to classes containing reactions with similar reagents and mechanisms. Reaction classes facilitate the communication of complex concepts and efficient navigation through chemical reaction

The research article "Retrosynthetic accessibility score (RAscore) – rapid machine learned synthesizability classification from AI driven retrosynthetic planning" was just published in RSC Chemical Science. Computer aided synthesis planning (CASP) is part of a suite of artificial intelligence (AI) based tools that are able to propose synthesis routes to

The research article "Stereorandomization as a method to probe peptide bioactivity" was just published in ACS Central Science. Solid-phase peptide synthesis (SPPS) is usually performed with optically pure building blocks to prepare peptides as single enantiomers. Herein we report that SPPS using racemic amino acids provides stereorandomized (sr)