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Amati, Andrea Marco; Moning, Stefan Urs; Javor, Sacha; Schär, Sandra; Deutschmann, Sabina; Reymond, Jean-Louis; von Ballmoos, Christoph (2024). Overcoming Protein Orientation Mismatch Enables Efficient Nanoscale Light-Driven ATP Production. ACS synthetic biology, 13(4), pp. 1355-1364. American Chemical Society 10.1021/acssynbio.4c00058
Jordan, Olivier; Gan, Bee-Ha; Alwan, Sari; Perron, Karl; Sublet, Emmanuelle; Ducret, Verena; Ye, Hua; Borchard, Gerrit; Reymond, Jean-Louis; Patrulea, Viorica (2024). Highly Potent Cationic Chitosan Derivatives Coupled to Antimicrobial Peptide Dendrimers to Combat Pseudomonas Aeruginosa. (In Press). Advanced healthcare materials(e2304118), e2304118. Wiley 10.1002/adhm.202304118
Bonvin, Etienne; Personne, Hippolyte; Paschoud, Thierry; Reusser, Jérémie; Gan, Bee-Ha; Luscher, Alexandre; Köhler, Thilo; van Delden, Christian; Reymond, Jean-Louis (2023). Antimicrobial Peptide-Peptoid Hybrids with and without Membrane Disruption. ACS infectious diseases, 9(12), pp. 2593-2606. American Chemical Society 10.1021/acsinfecdis.3c00421
Buehler, Ye; Reymond, Jean-Louis (2023). Expanding Bioactive Fragment Space with the Generated Database GDB-13s. Journal of chemical information and modeling, 63(20), pp. 6239-6248. American Chemical Society 10.1021/acs.jcim.3c01096
Meirelles, Matheus A.; Reymond, Jean-Louis (2023). Optimizing Phosphate Couplings for Dolichyl Diphosphochitobiose to Enable Protein N ‐Glycosylation Studies. Helvetica chimica acta, 106(12) Wiley 10.1002/hlca.202300171
Orsi, Markus; Probst, Daniel; Schwaller, Philippe; Reymond, Jean-Louis (2023). Alchemical analysis of FDA approved drugs. Digital discovery, 2(5), pp. 1289-1296. Royal Society of Chemistry 10.1039/d3dd00039g
Georgiou, Christos D; McKay, Christopher; Reymond, Jean-Louis (2023). Organic Catalytic Activity as a Method for Agnostic Life Detection. Astrobiology, 23(10), pp. 1118-1127. Mary Ann Liebert 10.1089/ast.2023.0022
Kreutter, David; Reymond, Jean-Louis (2023). Multistep retrosynthesis combining a disconnection aware triple transformer loop with a route penalty score guided tree search. Chemical Science, 14(36), pp. 9959-9969. The Royal Society of Chemistry 10.1039/d3sc01604h
Cai, Xingguang; Capecchi, Alice; Olcay, Başak; Orsi, Markus; Javor, Sacha; Reymond, Jean-Louis (2023). Exploring the Sequence Space of Antimicrobial Peptide Dendrimers. Israel journal of chemistry, 63(10-11) Wiley-VCH 10.1002/ijch.202300096
Personne, Hippolyte; Paschoud, Thierry; Fulgencio, Sofia; Baeriswyl, Stéphane; Köhler, Thilo; van Delden, Christian; Stocker, Achim; Javor, Sacha; Reymond, Jean-Louis (2023). To Fold or Not to Fold: Diastereomeric Optimization of an α-Helical Antimicrobial Peptide. Journal of medicinal chemistry, 66(11), pp. 7570-7583. American Chemical Society 10.1021/acs.jmedchem.3c00460
Bloch, Joël S; John, Alan; Mao, Runyu; Mukherjee, Somnath; Boilevin, Jérémy; Irobalieva, Rossitza N; Darbre, Tamis; Scott, Nichollas E; Reymond, Jean-Louis; Kossiakoff, Anthony A; Goddard-Borger, Ethan D; Locher, Kaspar P (2023). Structure, sequon recognition and mechanism of tryptophan C-mannosyltransferase. Nature chemical biology, 19(5), pp. 575-584. Springer Nature 10.1038/s41589-022-01219-9
De Capitani, Mario M.; Ramírez, Ana S.; Rossi, Lorenzo; Alexander, J. Andrew N.; De Lorenzo, Sabrina; Locher, Kaspar P.; Reymond, Jean-Louis (2023). Synthesis and characterisation of fluorescent substrates for eukaryotic protein N-glycosylation. Tetrahedron, 136, p. 133361. Elsevier Science 10.1016/j.tet.2023.133361
Bonvin, Etienne; Reymond, Jean-Louis (2023). Inverse Polyamidoamine (i‐PAMAM) Dendrimer Antimicrobials. Helvetica chimica acta, 106(6) Wiley 10.1002/hlca.202300035
Personne, Hippolyte; Siriwardena, Thissa N; Javor, Sacha; Reymond, Jean-Louis (2023). Dipropylamine for 9-Fluorenylmethyloxycarbonyl (Fmoc) Deprotection with Reduced Aspartimide Formation in Solid-Phase Peptide Synthesis. ACS Omega, 8(5), pp. 5050-5056. American Chemical Society 10.1021/acsomega.2c07861
Buehler, Ye; Reymond, Jean-Louis (2023). Molecular Framework Analysis of the Generated Database GDB-13s. Journal of chemical information and modeling, 63(2), pp. 484-492. American Chemical Society 10.1021/acs.jcim.2c01107
Cai, Xingguang; Orsi, Markus; Capecchi, Alice; Köhler, Thilo; van Delden, Christian; Javor, Sacha; Reymond, Jean-Louis (2022). An intrinsically disordered antimicrobial peptide dendrimer from stereorandomized virtual screening. Cell reports. Physical science, 3(12), pp. 1-15. Cell Press 10.1016/j.xcrp.2022.101161
Reymond, Jean-Louis (21 December 2022). Molecular Similarity for Drug Discovery, Target Prediction and Chemical Space Visualization. CHIMIA, 76(12), pp. 1045-1051. Swiss Chemical Society 10.2533/chimia.2022.1045
Ho, Manh Tin; Berger, Stephan; Müller, Philipp; Simonin, Céline; Reymond, Jean-Louis; von Ballmoos, Christoph; Fuster, Daniel G. (21 December 2022). Physiological and Molecular Function of the Sodium/Hydrogen Exchanger NHA2 (SLC9B2). CHIMIA, 76(12), pp. 1019-1024. Swiss Chemical Society 10.2533/chimia.2022.1019
Rossetti, Valentina; Reymond, Jean-Louis (21 December 2022). Vitaport: A Learning and Artistic Path for Public Outreach on Transporter Biology, Health and Drug Discovery. CHIMIA, 76(12), pp. 1063-1067. Swiss Chemical Society 10.2533/chimia.2022.1063
Abriel, Hugues; Reymond, Jean-Louis (2022). NCCR TransCure - Excellence in Membrane Transport Research from 2010 until 2022. CHIMIA, 76(12), p. 989. Schweizerische Chemische Gesellschaft
Ramírez, Ana S; De Capitani, Mario; Pesciullesi, Giorgio; Kowal, Julia; Bloch, Joël S; Irobalieva, Rossitza N; Reymond, Jean-Louis; Aebi, Markus; Locher, Kaspar P (2022). Molecular basis for glycan recognition and reaction priming of eukaryotic oligosaccharyltransferase. Nature communications, 13(1), p. 7296. Nature Publishing Group 10.1038/s41467-022-35067-x
Morstein, Johannes; Capecchi, Alice; Hinnah, Konstantin; Park, ByungUk; Petit-Jacques, Jerome; Van Lehn, Reid C; Reymond, Jean-Louis; Trauner, Dirk (2022). Medium-Chain Lipid Conjugation Facilitates Cell-Permeability and Bioactivity. Journal of the American Chemical Society, 144(40), pp. 18532-18544. American Chemical Society 10.1021/jacs.2c07833
Zhu, Di; Johannsen, Sandra; Masini, Tiziana; Simonin, Céline; Haupenthal, Jörg; Illarionov, Boris; Andreas, Anastasia; Awale, Mahendra; Gierse, Robin M; van der Laan, Tridia; van der Vlag, Ramon; Nasti, Rita; Poizat, Mael; Buhler, Eric; Reiling, Norbert; Müller, Rolf; Fischer, Markus; Reymond, Jean-Louis; Hirsch, Anna K H (2022). Discovery of novel drug-like antitubercular hits targeting the MEP pathway enzyme DXPS by strategic application of ligand-based virtual screening. Chemical Science, 13(36), pp. 10686-10698. The Royal Society of Chemistry 10.1039/d2sc02371g
Zakharova, Elena; Orsi, Markus; Capecchi, Alice; Reymond, Jean-Louis (2022). Machine Learning Guided Discovery of Non-Hemolytic Membrane Disruptive Anti-Cancer Peptides. ChemMedChem, 17(17), e202200291. Wiley-VCH 10.1002/cmdc.202200291
Thakkar, Amol; Reymond, Jean-Louis (27 April 2022). Automatic Extraction of Reaction Templates for Synthesis Prediction. CHIMIA, 76(4), p. 294. Swiss Chemical Society 10.2533/chimia.2022.294
Probst, Daniel; Schwaller, Philippe; Reymond, Jean-Louis (2022). Reaction classification and yield prediction using the differential reaction fingerprint DRFP. Digital discovery, 1(2), pp. 91-97. Royal Society of Chemistry 10.1039/d1dd00006c
Patrulea, Viorica; Gan, Bee-Ha; Perron, Karl; Cai, Xingguang; Abdel-Sayed, Philippe; Sublet, Emmanuelle; Ducret, Verena; Nerhot, Natalia Porroche; Applegate, Lee Ann; Borchard, Gerrit; Reymond, Jean-Louis; Jordan, Olivier (15 March 2022). Synergistic effects of antimicrobial peptide dendrimer-chitosan polymer conjugates against Pseudomonas aeruginosa. Carbohydrate polymers, 280, p. 119025. Elsevier 10.1016/j.carbpol.2021.119025
Pujol-Giménez, Jonai; Poirier, Marion; Bühlmann, Sven; Schuppisser, Céline; Bhardwaj, Rajesh; Awale, Mahendra; Visini, Ricardo; Javor, Sacha; Hediger, Matthias; Reymond, Jean-Louis (2021). Inhibitors of Human Divalent Metal Transporters DMT1 (SLC11A2) and ZIP8 (SLC39A8) from a GDB-17 Fragment Library. ChemMedChem, 16(21), pp. 3306-3314. Wiley-VCH 10.1002/cmdc.202100467
Capecchi, Alice; Reymond, Jean-Louis (2021). Classifying natural products from plants, fungi or bacteria using the COCONUT database and machine learning. Journal of cheminformatics, 13(82), p. 1069. Springer 10.1186/s13321-021-00559-3
Erzina, Dina; Capecchi, Alice; Javor, Sacha; Reymond, Jean-Louis (2021). An Immunomodulatory Peptide Dendrimer Inspired from Glatiramer Acetate. Angewandte Chemie International Edition, 60(50), pp. 26403-26408. Wiley 10.1002/anie.202113562
Baeriswyl, Stéphane; Personne, Hippolyte; Di Bonaventura, Ivan; Köhler, Thilo; van Delden, Christian; Stocker, Achim; Javor, Sacha; Reymond, Jean-Louis (2021). A mixed chirality α-helix in a stapled bicyclic and a linear antimicrobial peptide revealed by X-ray crystallography. RSC chemical biology, 2(6), pp. 1608-1617. Royal Society of Chemistry 10.1039/D1CB00124H
Jafari, Paris; Luscher, Alexandre; Siriwardena, Thissa; Michetti, Murielle; Que, Yok-Ai; Rahme, Laurence G.; Reymond, Jean-Louis; Raffoul, Wassim; Van Delden, Christian; Applegate, Lee Ann; Köhler, Thilo (2021). Antimicrobial Peptide Dendrimers and Quorum-Sensing Inhibitors in Formulating Next-Generation Anti-Infection Cell Therapy Dressings for Burns. Molecules, 26(13), p. 3839. Molecular Diversity Preservation International MDPI 10.3390/molecules26133839
Capecchi, Alice; Cai, Xingguang; Personne, Hippolyte; Köhler, Thilo; van Delden, Christian; Reymond, Jean-Louis (2021). Machine learning designs non-hemolytic antimicrobial peptides. Chemical Science, 12(26), pp. 9221-9232. The Royal Society of Chemistry 10.1039/D1SC01713F
Reymond, Jean-Louis (2021). Peptide Dendrimers: From Enzyme Models to Antimicrobials and Transfection Reagents. CHIMIA, 75(6), pp. 535-538. Schweizerische Chemische Gesellschaft 10.2533/chimia.2021.535
Kreutter, David; Schwaller, Philippe; Reymond, Jean-Louis (2021). Predicting enzymatic reactions with a molecular transformer. Chemical Science, 12(25), pp. 8648-8659. The Royal Society of Chemistry 10.1039/D1SC02362D
Eyring, Jillianne; Lin, Chia-Wei; Ngwa, Elsy Mankah; Boilevin, Jérémy; Pesciullesi, Giorgio; Locher, Kaspar P.; Darbre, Tamis; Reymond, Jean-Louis; Aebi, Markus (2021). Substrate specificities and reaction kinetics of the yeast oligosaccharyltransferase isoforms. Journal of biological chemistry, 296, p. 100809. American Society for Biochemistry and Molecular Biology 10.1016/j.jbc.2021.100809
Cai, Xingguang; Javor, Sacha; Gan, Bee Ha; Köhler, Thilo; Reymond, Jean-Louis (2021). The antibacterial activity of peptide dendrimers and polymyxin B increases sharply above pH 7.4. Chemical communications, 57(46), pp. 5654-5657. Royal Society of Chemistry 10.1039/D1CC01838H
Schwaller, Philippe; Hoover, Benjamin; Reymond, Jean-Louis; Strobelt, Hendrik; Laino, Teodoro (2021). Extraction of organic chemistry grammar from unsupervised learning of chemical reactions. Science Advances, 7(15) American Association for the Advancement of Science 10.1126/sciadv.abe4166
Schwaller, Philippe; Vaucher, Alain C; Laino, Teodoro; Reymond, Jean-Louis (2021). Prediction of chemical reaction yields using deep learning. Machine learning: science and technology, 2(1), 015016. IOP Publishing 10.1088/2632-2153/abc81d
Reymond, Jean-Louis; Auberson, Yves P.; Benfatti, Fides; Zumbrunn, Cornelia (2021). Medicinal Chemistry and Chemical Biology in the Age of the Pandemic. CHIMIA, 75(3), pp. 225-226. Schweizerische Chemische Gesellschaft 10.2533/chimia.2021.225
Schwaller, Philippe; Probst, Daniel; Vaucher, Alain C.; Nair, Vishnu H.; Kreutter, David Patrick Joseph; Laino, Teodoro; Reymond, Jean-Louis (2021). Mapping the space of chemical reactions using attention-based neural networks. Nature machine intelligence, 3(2), pp. 144-152. Springer Nature 10.1038/s42256-020-00284-w
Thakkar, Amol; Chadimová, Veronika; Bjerrum, Esben Jannik; Engkvist, Ola; Reymond, Jean-Louis (2021). Retrosynthetic accessibility score (RAscore) – rapid machine learned synthesizability classification from AI driven retrosynthetic planning. Chemical Science, 12(9), pp. 3339-3349. The Royal Society of Chemistry 10.1039/D0SC05401A
Siriwardena, Thissa N.; Gan, Bee-Ha; Köhler, Thilo; van Delden, Christian; Javor, Sacha; Reymond, Jean-Louis (2021). Stereorandomization as a Method to Probe Peptide Bioactivity. ACS central science, 7(1), pp. 126-134. ACS Publications 10.1021/acscentsci.0c01135
Daralnakhla, Haneen; Saher, Osama; Zamolo, Susanna; Bazaz, Safa; P. Bost, Jeremy; Heitz, Marc; Lundin, Karin E.; EL Andaloussi, Samir; Darbre, Tamis; Reymond, Jean-Louis; Zain, Rula; Smith, C. I. Edvard (2021). Lipophilic Peptide Dendrimers for Delivery of Splice-Switching Oligonucleotides. Pharmaceutics, 13(1), p. 116. MDPI 10.3390/pharmaceutics13010116
Capecchi, Alice; Reymond, Jean-Louis (2021). Peptides in chemical space. Medicine in drug discovery, 9, p. 100081. Elsevier 10.1016/j.medidd.2021.100081
Meier, Kris; Arús-Pous, Josep; Reymond, Jean-Louis (2021). A Potent and Selective Janus Kinase Inhibitor with a Chiral 3D‐Shaped Triquinazine Ring System from Chemical Space. Angewandte Chemie (International ed.), 60(4), pp. 2074-2077. Wiley-VCH 10.1002/anie.202012049
Thakkar, Amol; Johansson, Simon; Jorner, Kjell; Buttar, David; Reymond, Jean-Louis; Engkvist, Ola (2021). Artificial intelligence and automation in computer aided synthesis planning. Reaction chemistry & engineering, 6(1), pp. 27-51. Royal Society of Chemistry 10.1039/D0RE00340A
Gan, Bee-Ha; Cai, Xingguang; Javor, Sacha; Köhler, Thilo; Reymond, Jean-Louis (2020). Synergistic Effect of Propidium Iodide and Small Molecule Antibiotics with the Antimicrobial Peptide Dendrimer G3KL against Gram-Negative Bacteria. Molecules, 25(23), p. 5643. Molecular Diversity Preservation International MDPI 10.3390/molecules25235643
Bhardwaj, Rajesh; Lindinger, Sonja; Neuberger, Arthur; Nadezhdin, Kirill D.; Singh, Appu K.; R. Cunha, Micael; Derler, Isabella; Gyimesi, Gergely; Reymond, Jean-Louis; Hediger, Matthias A.; Romanin, Christoph; Sobolevsky, Alexander I. (2020). Inactivation-mimicking block of the epithelial calcium channel TRPV6. Science Advances, 6(48), eabe1508. American Association for the Advancement of Science 10.1126/sciadv.abe1508
Genheden, Samuel; Thakkar, Amol; Chadimová, Veronika; Reymond, Jean-Louis; Engkvist, Ola; Bjerrum, Esben (2020). AiZynthFinder: a fast, robust and flexible open-source software for retrosynthetic planning. Journal of cheminformatics, 12(1) Springer 10.1186/s13321-020-00472-1
Fitzner, Martin; Wuitschik, Georg; Koller, Raffael J.; Adam, Jean-Michel; Schindler, Torsten; Reymond, Jean-Louis (2020). What can reaction databases teach us about Buchwald–Hartwig cross-couplings? Chemical Science, 11(48), pp. 13085-13093. The Royal Society of Chemistry 10.1039/d0sc04074f
Capecchi, Alice; Reymond, Jean-Louis (2020). Assigning the Origin of Microbial Natural Products by Chemical Space Map and Machine Learning. Biomolecules, 10(10), p. 1385. MDPI 10.3390/biom10101385
Pesciullesi, Giorgio; Schwaller, Philippe; Laino, Teodoro; Reymond, Jean-Louis (2020). Transfer learning enables the molecular transformer to predict regio- and stereoselective reactions on carbohydrates. Nature Communications, 11(1) Springer Nature 10.1038/s41467-020-18671-7
Personne, Hippolyte Jean-Claude René; Baeriswyl, Stéphane; Stocker, Achim; Javor, Sacha; Reymond, Jean-Louis (25 August 2020). X-Ray Crystallographic Studies of Short Antimicrobial Helical Peptides against Multidrug Resistant Gram-Negative Bacteria (Unpublished). In: SCS Fall meeting 2020. University of Bern. 25th August 2020.
Rodrigues Cunha, Micael; Bhardwaj, Rajesh; Carrel, Aline Lucie; Lindinger, Sonja; Romanin, Christoph; Parise-Filho, Roberto; Hediger, Matthias A.; Reymond, Jean-Louis (2020). Natural product inspired optimization of a selective TRPV6 calcium channel inhibitor. RSC Medicinal Chemistry, 11(9), pp. 1032-1040. Royal Society of Chemistry 10.1039/D0MD00145G
Stoklosa, Paulina; Probst, Daniel; Reymond, Jean-Louis; Peinelt, Christine (2020). The name tells the story: Two-pore channels. Cell calcium, 89, p. 102215. Elsevier 10.1016/j.ceca.2020.102215
Capecchi, Alice; Probst, Daniel; Reymond, Jean-Louis (2020). One molecular fingerprint to rule them all: drugs, biomolecules, and the metabolome. Journal of cheminformatics, 12(1) Springer 10.1186/s13321-020-00445-4
Poirier, Marion; Pujol-Giménez, Jonai; Manatschal, Cristina; Bühlmann, Sven; Embaby, Ahmed; Javor, Sacha; Hediger, Matthias A.; Reymond, Jean-Louis (2020). Pyrazolyl-pyrimidones inhibit the function of human solute carrier protein SLC11A2 (hDMT1) by metal chelation. RSC Medicinal Chemistry, 11(9), pp. 1023-1031. Royal Society of Chemistry 10.1039/D0MD00085J
Arús-Pous, Josep; Patronov, Atanas; Bjerrum, Esben Jannik; Tyrchan, Christian; Reymond, Jean-Louis; Chen, Hongming; Engkvist, Ola (2020). SMILES-based deep generative scaffold decorator for de-novo drug design. Journal of cheminformatics, 12(1) Springer 10.1186/s13321-020-00441-8
Heitz, Marc; Zamolo, Susanna; Javor, Sacha; Reymond, Jean-Louis (2020). Fluorescent Peptide Dendrimers for siRNA Transfection: Tracking pH Responsive Aggregation, siRNA Binding, and Cell Penetration. Bioconjugate chemistry, 31(6), pp. 1671-1684. American Chemical Society 10.1021/acs.bioconjchem.0c00231
Thakkar, Amol; Selmi, Nidhal; Reymond, Jean-Louis; Engkvist, Ola; Bjerrum, Esben Jannik (2020). “Ring Breaker”: Neural Network Driven Synthesis Prediction of the Ring System Chemical Space. Journal of medicinal chemistry, 63(16), pp. 8791-8808. American Chemical Society 10.1021/acs.jmedchem.9b01919
Meier, Kris; Bühlmann, Sven; Arús-Pous, Josep; Reymond, Jean-Louis (2020). The Generated Databases (GDBs) as a Source of 3D-shaped Building Blocks for Use in Medicinal Chemistry and Drug Discovery. CHIMIA, 74(4), pp. 241-246. Schweizerische Chemische Gesellschaft 10.2533/chimia.2020.241
Bloch, Joël S.; Pesciullesi, Giorgio; Boilevin, Jérémy; Nosol, Kamil; Irobalieva, Rossitza N.; Darbre, Tamis; Aebi, Markus; Kossiakoff, Anthony A.; Reymond, Jean-Louis; Locher, Kaspar P. (2020). Structure and mechanism of the ER-based glucosyltransferase ALG6. Nature, 579(7799), pp. 443-447. Springer Nature 10.1038/s41586-020-2044-z
Probst, Daniel; Reymond, Jean-Louis (2020). Visualization of very large high-dimensional data sets as minimum spanning trees. Journal of cheminformatics, 12(1) Springer 10.1186/s13321-020-0416-x
Bühlmann, Sven; Reymond, Jean-Louis (2020). ChEMBL-Likeness Score and Database GDBChEMBL. Frontiers in Chemistry, 8(46) Frontiers Media 10.3389/fchem.2020.00046
Ben Jeddou, Fatma; Falconnet, Léna; Luscher, Alexandre; Siriwardena, Thissa; Reymond, Jean-Louis; van Delden, Christian; Köhler, Thilo (2020). Adaptive and Mutational Responses to Peptide Dendrimer Antimicrobials in Pseudomonas aeruginosa. Antimicrobial agents and chemotherapy, 64(4) American Society for Microbiology 10.1128/AAC.02040-19
Capecchi, Alice; Zhang, Alain; Reymond, Jean-Louis (2020). Populating Chemical Space with Peptides Using a Genetic Algorithm. Journal of chemical information and modeling, 60(1), pp. 121-132. American Chemical Society 10.1021/acs.jcim.9b01014
Thakkar, Amol; Kogej, Thierry; Reymond, Jean-Louis; Engkvist, Ola; Bjerrum, Esben Jannik (2020). Datasets and their influence on the development of computer assisted synthesis planning tools in the pharmaceutical domain. Chemical Science, 11(1), pp. 154-168. The Royal Society of Chemistry 10.1039/C9SC04944D
Zamolo, Susanna J.; Darbre, Tamis; Reymond, Jean-Louis (2020). Transfecting tissue models with CRISPR/Cas9 plasmid DNA using peptide dendrimers. Chemical communications, 56(80), pp. 11981-11984. Royal Society of Chemistry 10.1039/D0CC04750C
Schwaller, Philippe; Probst, Daniel; Vaucher, Alain C.; Nair, Vishnu H; Laino, Teodoro; Reymond, Jean-Louis (26 December 2019). Data-Driven Chemical Reaction Classification, Fingerprinting and Clustering using Attention-Based Neural Networks ChemRxiv 10.26434/chemrxiv.9897365.v2
Manatschal, Cristina; Pujol-Giménez, Jonai; Poirier, Marion; Reymond, Jean-Louis; Hediger, Matthias A.; Dutzler, Raimund (2019). Mechanistic basis of the inhibition of SLC11/NRAMP-mediated metal ion transport by bis-isothiourea substituted compounds. eLife, 8 eLife Sciences Publications 10.7554/eLife.51913
Arús-Pous, Josep; Awale, Mahendra; Probst, Daniel; Reymond, Jean-Louis (2019). Exploring Chemical Space with Machine Learning. CHIMIA, 73(12), pp. 1018-1023. Schweizerische Chemische Gesellschaft 10.2533/chimia.2019.1018
R. Cunha, Micael; Bhardwaj, Rajesh; Lindinger, Sonja; Butorac, Carmen; Romanin, Christoph; Hediger, Matthias; Reymond, Jean-Louis (2019). Photoswitchable Inhibitor of the Calcium Channel TRPV6. ACS medicinal chemistry letters, 10(9), pp. 1341-1345. American Chemical Society 10.1021/acsmedchemlett.9b00298
Delalande, Clémence; Awale, Mahendra; Rubin, Matthias; Probst, Daniel; Ozhathil, Lijo C.; Gertsch, Jürg; Abriel, Hugues; Reymond, Jean-Louis (2019). Optimizing TRPM4 inhibitors in the MHFP6 chemical space. European journal of medicinal chemistry, 166, pp. 167-177. Elsevier 10.1016/j.ejmech.2019.01.048
Borgström, A.; Kiener, M.; Kappel, S.; Hauert, B.; Delalande, C.; Zoni, E.; Reymond, J.; Thalmann, G. N.; Peinelt, C.; Kruithof-de Julio, M. (15 March 2019). Investigation of TRPM4 and store-operated calcium entry in prostate cancer cell systems and a primary prostate cancer stem cell model. European Urology Supplements, 18(1), e342-e342. Elsevier https://doi.org/10.1016/S1569-9056(19)30254-4
Siriwardena, Thissa N.; Lüscher, Alexandre; Köhler, Thilo; van Delden, Christian; Javor, Sacha; Reymond, Jean-Louis (2019). Antimicrobial Peptide Dendrimer Chimera. Helvetica chimica acta, 102(4), e1900034. Wiley 10.1002/hlca.201900034
Baeriswyl, Stéphane; Gan, Bee Ha; Siriwardena, Thissa N.; Visini, Ricardo; Robadey, Maurane; Javor, Sacha; Stocker, Achim; Darbre, Tamis; Reymond, Jean-Louis (2019). X-ray Crystal Structures of Short Antimicrobial Peptides as Pseudomonas aeruginosa Lectin B Complexes. ACS Chemical Biology, 14(4), pp. 758-766. American Chemical Society 10.1021/acschembio.9b00047
Capecchi, Alice; Awale, Mahendra; Probst, Daniel; Reymond, Jean-Louis (2019). PubChem and ChEMBL beyond Lipinski. Molecular informatics, 38(5), p. 1900016. Wiley 10.1002/minf.201900016
Arús-Pous, Josep; Blaschke, Thomas; Ulander, Silas; Reymond, Jean-Louis; Chen, Hongming; Engkvist, Ola (2019). Exploring the GDB-13 chemical space using deep generative models. Journal of cheminformatics, 11(1), p. 20. Springer 10.1186/s13321-019-0341-z
Morstein, Johannes; Awale, Mahendra; Reymond, Jean-Louis; Trauner, Dirk (2019). Mapping the Azolog Space Enables the Optical Control of New Biological Targets. ACS central science, 5(4), pp. 607-618. ACS Publications 10.1021/acscentsci.8b00881
Awale, Mahendra; Sirockin, Finton; Stiefl, Nikolaus; Reymond, Jean-Louis (2019). Drug Analogs from Fragment-Based Long Short-Term Memory Generative Neural Networks. Journal of chemical information and modeling, 59(4), pp. 1347-1356. American Chemical Society 10.1021/acs.jcim.8b00902
Awale, Mahendra; Sirockin, Finton; Stiefl, Nikolaus; Reymond, Jean-Louis (2019). Medicinal Chemistry Aware Database GDBMedChem. Molecular informatics, 38(8-9), p. 1900031. Wiley 10.1002/minf.201900031
Han, Xiao; Liu, Yujie; Ma, Yibing; Zhang, Mengqing; He, Zhengjin; Siriwardena, Thissa N.; Xu, Haijin; Bai, Yanling; Zhang, Xiuming; Reymond, Jean-Louis; Qiao, Mingqiang (2019). Peptide dendrimers G3KL and TNS18 inhibit Pseudomonas aeruginosa biofilms. Applied microbiology and biotechnology, 103(14), pp. 5821-5830. Springer 10.1007/s00253-019-09801-3
Arús-Pous, Josep; Johansson, Simon Viet; Prykhodko, Oleksii; Bjerrum, Esben Jannik; Tyrchan, Christian; Reymond, Jean-Louis; Chen, Hongming; Engkvist, Ola (2019). Randomized SMILES strings improve the quality of molecular generative models. Journal of cheminformatics, 11(1) Springer 10.1186/s13321-019-0393-0
Heitz, Marc; Javor, Sacha; Darbre, Tamis; Reymond, Jean-Louis (2019). Stereoselective pH Responsive Peptide Dendrimers for siRNA Transfection. Bioconjugate chemistry, 30(8), pp. 2165-2182. American Chemical Society 10.1021/acs.bioconjchem.9b00403
Baeriswyl, Stéphane; Javor, Sacha; Stocker, Achim; Darbre, Tamis; Reymond, Jean-Louis (2019). X‐Ray Crystal Structure of a Second‐Generation Peptide Dendrimer in Complex with Pseudomonas aeruginosa Lectin LecB. Helvetica chimica acta, 102(9) Wiley 10.1002/hlca.201900178
Taouai, Marwa; Chakroun, Khouloud; Sommer, Roman; Michaud, Gaelle; Giacalone, David; Ben Maaouia, Mohamed Amine; Vallin-Butruille, Aurélie; Mathiron, David; Abidi, Rym; Darbre, Tamis; Cragg, Peter J.; Mullié, Catherine; Reymond, Jean-Louis; O’Toole, George A.; Benazza, Mohammed (2019). Glycocluster Tetrahydroxamic Acids Exhibiting Unprecedented Inhibition of Pseudomonas aeruginosa Biofilms. Journal of medicinal chemistry, 62(17), pp. 7722-7738. American Chemical Society 10.1021/acs.jmedchem.9b00481
Gan, Bee Ha; Siriwardena, Thissa N.; Javor, Sacha; Darbre, Tamis; Reymond, Jean-Louis (2019). Fluorescence Imaging of Bacterial Killing by Antimicrobial Peptide Dendrimer G3KL. ACS infectious diseases, 5(12), pp. 2164-2173. American Chemical Society 10.1021/acsinfecdis.9b00299
Capecchi, Alice; Reymond, Jean-Louis (2019). Peptide chemical space (Unpublished). In: SCS fall meeting 2019.
Zamolo, Susanna Joelle; Reymond, Jean-Louis (7 September 2018). Peptide dendrimes as delivery systems for nucleic acids (Unpublished). In: Swiss Chemical Society - Fall meeting, (Lausanne, Switzerland). Lausanne, Switzerland. 7 Sept.2018.
Zamolo, Susanna Joelle; Reymond, Jean-Louis (August 2018). Peptide dendrimes as delivery systems for nucleic acids (Unpublished). In: Swiss Summer School in Chemical Biology (Villars-sur-Ollon, Switzerland. Villars-sur-Ollon, Switzerland. 19-23 Aug.2018.
Zamolo, Susanna Joelle; Reymond, Jean-Louis (August 2018). Peptide dendrimes as delivery systems for nucleic acids (Unpublished). In: Swiss Summer School in Chemical Biology (Villars-sur-Ollon, Switzerland). Villars-sur-Ollon, Switzerland. 19-23 Aug.2018.
Zamolo, Susanna Joelle; Reymond, Jean-Louis (June 2018). Peptide dendrimes as delivery systems for nucleic acids (Unpublished). In: Summer School (5 days) Nucleic Acids in Therapy (Stockholm, Sweden). Stockholm. 25-30 Jun.2018.
Probst, Daniel; Reymond, Jean-Louis (2018). SmilesDrawer: Parsing and Drawing SMILES-Encoded Molecular Structures Using Client-Side JavaScript. Journal of chemical information and modeling, 58(1), pp. 1-7. American Chemical Society 10.1021/acs.jcim.7b00425
Capecchi, Alice; Awale, Mahendra; Probst, Daniel; Reymond, Jean-Louis (2018). Beyond Lipinski – an analysis of the PubChem chemical space (Unpublished). In: Summer School on Machine Learning in Drug Design. Leuven, Belgium. Monday, August 20, 2018 - to Wednesday, August 22, 2018.
