2023

Expanding Bioactive Fragment Space with the Generated Database GDB-13s
Ye Buehler and Jean-Louis Reymond, J. Chem. Inf. Model., 2023, 63, 20, 6239–6248, doi.org/10.1021/acs.jcim.3c01096
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Alchemical Analysis of FDA Approved Drugs
Markus Orsi, Daniel Probst, Philippe Schwaller and Jean-Louis Reymond, Digital Discovery, 2023,2, 1289-1296, https://doi.org/10.1039/D3DD00039G
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Molecular Framework Analysis of the Generated Database GDB-13s
Ye Buehler and Jean-Louis Reymond, J. Chem. Inf. Model., 2023, 63, 2, 484-492, doi.org/10.1021/acs.jcim.2c01107
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2022

Reaction classification and yield prediction using the differential reaction fingerprint DRFP
Daniel Probst, Philippe Schwaller and Jean-Louis Reymond, RSC Digital Discovery, 2022, 1, 91-97, doi.org/10.1039/D1DD00006C
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2021

A mixed chirality α-helix in a stapled bicyclic and a linear antimicrobial peptide revealed by X-ray crystallography
Stéphane Baeriswyl, Hippolyte Personne, Ivan Di Bonaventura, Thilo Köhler, Christian van Delden, Achim Stocker, Sacha Javor and Jean-Louis Reymond, RSC Chemical Biology, 2021, 2, 1608-1617, doi.org/10.1039/D1CB00124H
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Predicting Enzymatic Reactions with a Molecular Transformer
David Kreutter, Philippe Schwaller and Jean-Louis Reymond, Chem. Sci., 2021, 12, 8648-8659, 8648-8659, doi:10.1039/D1SC02362D
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2020

Pyrazolyl-pyrimidones inhibit the function of human solute carrier protein SLC11A2 (hDMT1) by metal chelation
Marion Poirier, Jonai Pujol-Giménez, Cristina Manatschal, Sven Bühlmann, Ahmed Embaby, Sacha Javor, Matthias A. Hediger and Jean-Louis Reymond, RSC Med. Chem., 2020, 11, 1023-1031, doi:10.1039/D0MD00085J
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2019

Medicinal Chemistry Aware Database GDBMedChem
Mahendra Awale, Finton Sirockin, Nikolaus Stiefl, Jean-Louis Reymond, Mol. Inform., 2019, 38(8-9), 1900031, doi:10.1002/minf.201900031
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PubChem and ChEMBL beyond Lipinski
Alice Capecchi, Mahendra Awale, Daniel Probst, Jean-Louis Reymond, Mol. Inform., 2019, 38(5), 1900016
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Identifying Lysophosphatidic Acid Acyltransferase β (LPAAT‐β) as the Target of a Nanomolar Angiogenesis Inhibitor from a Phenotypic Screen Using the Polypharmacology Browser PPB2
Marion Poirier, Mahendra Awale, Matthias A. Roelli, Guy T. Giuffredi, Lars Ruddigkeit, Lasse Evensen, Amandine Stooss, Serafina Calarco, James B. Lorens, Roch‐Philippe Charles, Jean‐Louis Reymond, ChemMedChem, 2019, 14(2), 224-236
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2018

Exploring DrugBank in Virtual Reality Chemical Space
Daniel Probst and Jean-Louis Reymond, J. Chem. Inf. Model., 2018, 58(9), 1731-1735
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2017

Chemical Space Guided Discovery of Antimicrobial Bridged Bicyclic Peptides Against Pseudomonas aeruginosa and its Biofilms
Ivan Dibonaventura, Xian Jin, Ricardo Visini, Daniel Probst, Sacha Javor, Bee-Ha Gan, Gaelle Michaud, Antonino Natalello, Silvia Maria Doglia, Thilo Kohler, Christian van Delden, Achim Stocker, Tamis Darbre and Jean-Louis Reymond, Chem. Sci., 2017, 8(10), 6784-98
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2012

Exploring chemical space for drug discovery using the chemical universe database
J.-L. Reymond and M. Awale, ACS Chem. Neurosci., 2012, 3, 649-657
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2009

Proteolysis of Peptide Dendrimerse
P. Sommer , V. S. Fluxa, T. Darbre, J.-L. Reymond, Chembiochem 2009, 10, 1527-1536
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2002

Enzyme Fingerprints of Activity, Stereo- and Enantioselectivity from Fluorogenic and Chromogenic Substrate Arrays
D. Wahler, F. Badalassi, P. Crotti, J.-L. Reymond, Chem. Eur. J. 2002, 8, 3211-3228
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