Luc Patiny
Responsable du service d'information chimique
luc.patiny@epfl.ch +41 21 69 39469 http://cheminformatics.epfl.ch
EPFL SB ISIC-GE
CH G1 621 (Bâtiment CH)
Station 6
CH-1015 Lausanne
EPFL SB SCGC-GE
CH G1 621 (Bâtiment CH)
Station 6
CH-1015 Lausanne
Publications
Publications
A. Negro; T. Cherbuin; M. P. Lutolf : 3D Inkjet Printing of Complex, Cell-Laden Hydrogel Structures; Scientific Reports. 2018-11-20. DOI : 10.1038/s41598-018-35504-2.
M. Brighi; F. Murgia; Z. Lodziana; P. Schouwink; A. Wolczyk et al. : A mixed anion hydroborate/carba-hydroborate as a room temperature Na-ion solid electrolyte; Journal Of Power Sources. 2018-11-15. DOI : 10.1016/j.jpowsour.2018.09.085.
H.-H. Chen; P. Liu; P. Auger; S.-H. Lee; O. Adolfsson et al. : Calpain-mediated tau fragmentation is altered in Alzheimer's disease progression; Scientific Reports. 2018-11-13. DOI : 10.1038/s41598-018-35130-y.
A. C. Pinon; U. Skantze; J. Viger-Gravel; S. Schantz; L. Emsley : Core-Shell Structure of Organic Crystalline Nanoparticles Determined by Relayed Dynamic Nuclear Polarization NMR; Journal Of Physical Chemistry A. 2018-11-08. DOI : 10.1021/acs.jpca.8b08630.
Y. R. Devaud; E. Avilla-Royo; C. Trachsel; J. Grossmann; I. Martin et al. : Label-Free Quantification Proteomics for the Identification of Mesenchymal Stromal Cell Matrisome Inside 3D Poly(Ethylene Glycol) Hydrogels; Advanced Healthcare Materials. 2018-11-01. DOI : 10.1002/adhm.201800534.
G. Rossi; A. Manfrin; M. P. Lutolf : Progress and potential in organoid research; Nature Reviews Genetics. 2018-11-01. DOI : 10.1038/s41576-018-0051-9.
L. Beccari; N. Moris; M. Girgin; D. A. Turner; P. Baillie-Johnson et al. : Multi-axial self-organization properties of mouse embryonic stem cells into gastruloids; Nature. 2018-10-11. DOI : 10.1038/s41586-018-0578-0.
J.-C. G. Bunzli : BIOIMAGING Time to multiplex; Nature Nanotechnology. 2018-10-01. DOI : 10.1038/s41565-018-0249-1.
L. Piveteau; T.-C. Ong; B. J. Walder; D. N. Dirin; D. Moscheni et al. : Resolving the Core and the Surface of CdSe Quantum Dots and Nanoplatelets Using Dynamic Nuclear Polarization Enhanced PASS-PIETA NMR Spectroscopy; Acs Central Science. 2018-09-26. DOI : 10.1021/acscentsci.8b00196.
M. D. Wodrich; M. Busch; C. Corminboeuf : Expedited Screening of Active and Regioselective Catalysts for the Hydroformylation Reaction; Helvetica Chimica Acta. 2018-09-01. DOI : 10.1002/hlca.201800107.
M. Wodrich; C. Corminboeuf : Identifying highly active and regioselective homogeneous catalysts from molecular volcano plots. 2018-08-19. 256th National Meeting and Exposition of the American-Chemical-Society (ACS) - Nanoscience, Nanotechnology and Beyond, Boston, MA, Aug 19-23, 2018.
H. Klok : Polymers at Interfaces. 2018-08-19. 256th National Meeting and Exposition of the American-Chemical-Society (ACS) - Nanoscience, Nanotechnology and Beyond, Boston, MA, Aug 19-23, 2018.
H. Klok : Trace element and isotope labels to study uptake and intracellular trafficking of polymer conjugates. 2018-08-19. 256th National Meeting and Exposition of the American-Chemical-Society (ACS) - Nanoscience, Nanotechnology and Beyond, Boston, MA, Aug 19-23, 2018.
K. T. Cho; G. Grancini; Y. Lee; E. Oveisi; J. Ryu et al. : Selective growth of layered perovskites for stable and efficient photovoltaics; Energy and Environmental Science. 2018-08-04. DOI : 10.1039/c7ee03513f.
H. Klok : Surface modification of living cells with synthetic polymer nano- and microparticles. 2018-03-18. 255th National Meeting and Exposition of the American-Chemical-Society (ACS) - Nexus of Food, Energy, and Water, New Orleans, LA, Mar 18-22, 2018.
S. Gobaa; R. V. Gayet; M. P. Lutolf : Artificial niche microarrays for identifying extrinsic cell-fate determinants; Microfluidics In Cell Biology, Pt C: Microfluidics For Cellular And Subcellular Analysis. 2018-01-01. DOI : 10.1016/bs.mcb.2018.06.012.
L. Patiny; M. Zasso; D. Kostro; A. Bernal; A. Castillo et al. : The C6H6 NMR repository: An integral solution to control the flow of your data from the magnet to the public; MAGNETIC RESONANCE IN CHEMISTRY. 2018. DOI : 10.1002/mrc.4669.
L. Patiny; A. Bolanos; A. Castillo; A. Bernal; J. Wist : Teaching NMR spectra analysis with nmr.cheminfo.org; MAGNETIC RESONANCE IN CHEMISTRY. 2018. DOI : 10.1002/mrc.4733.
L. Abriata; J. Rodrigues; M. Salathe; L. Patiny : Augmenting Research, Education, and Outreach with Client-Side Web Programming; TRENDS IN BIOTECHNOLOGY. 2018. DOI : 10.1016/j.tibtech.2017.11.009.
R. F. S. Lee; L. Menin; L. Patiny; D. Ortiz; P. J. Dyson : Versatile Tool for the Analysis of Metal-Protein Interactions Reveals the Promiscuity of Metallodrug-Protein Interactions; Analytical Chemistry. 2017. DOI : 10.1021/acs.analchem.7b02211.
P. Temboot; R. F. S. Lee; L. Menin; L. Patiny; P. J. Dyson et al. : Biochemical and biophysical characterization of ruthenation of BRCA1 RING protein by RAPTA complexes and its E3 ubiquitin ligase activity; Biochemical And Biophysical Research Communications. 2017. DOI : 10.1016/j.bbrc.2017.05.052.
A. E. Williamson; P. M. Ylioja; M. N. Robertson; Y. Antonova-Koch; V. Avery et al. : Open Source Drug Discovery: Highly Potent Antimalarial Compounds Derived from the Tres Cantos Arylpyrroles; Acs Central Science. 2016. DOI : 10.1021/acscentsci.6b00086.
A. M. Castillo; A. Bernal; R. Dieden; L. Patiny; J. Wist : Ask Erno: a self-learning tool for assignment and prediction of nuclear magnetic resonance spectra; Journal Of Cheminformatics. 2016. DOI : 10.1186/s13321-016-0134-6.
M. Auberson; S. Baechler; M. Zasso; T. Genessay; L. Patiny et al. : Development of a systematic computer vision-based method to analyse and compare images of false identity documents for forensic intelligence purposes-Part I: Acquisition, calibration and validation issues; Forensic Science International. 2016. DOI : 10.1016/j.forsciint.2016.01.016.
J. R. Vanderveen; L. Patiny; C. B. Chalifoux; M. J. Jessop; P. G. Jessop : A virtual screening approach to identifying the greenest compound for a task: application to switchable-hydrophilicity solvents; Green Chemistry. 2015. DOI : 10.1039/c5gc01022e.
X. Jin; M. Awale; M. Zasso; D. Kostro; L. Patiny et al. : PDB-Explorer: a web-based interactive map of the protein data bank in shape space; Bmc Bioinformatics. 2015. DOI : 10.1186/s12859-015-0776-9.
A. M. Castillo; A. Bernal; L. Patiny; J. Wist : Fully automatic assignment of small molecules' NMR spectra without relying on chemical shift predictions; Magnetic Resonance In Chemistry. 2015. DOI : 10.1002/mrc.4272.
P. Ertl; L. Patiny; T. Sander; C. Rufener; M. Zasso : Wikipedia Chemical Structure Explorer: substructure and similarity searching of molecules from Wikipedia; Journal Of Cheminformatics. 2015. DOI : 10.1186/s13321-015-0061-y.
A. Bernal; A. M. Castillo; F. Gonzalez; L. Patiny; J. Wist : Improving the efficiency of branch-and-bound complete-search NMR assignment using the symmetry of molecules and spectra; Journal Of Chemical Physics. 2015. DOI : 10.1063/1.4907898.
I. V. Tetko; Y. Sushko; S. Novotarskyi; L. Patiny; I. Kondratov et al. : How Accurately Can We Predict the Melting Points of Drug-like Compounds?; Journal Of Chemical Information And Modeling. 2014. DOI : 10.1021/ci5005288.
R. Griss; A. Schena; L. Reymond; L. Patiny; D. Werner et al. : Bioluminescent sensor proteins for point-of-care therapeutic drug monitoring; Nature Chemical Biology. 2014. DOI : 10.1038/nchembio.1554.
A. M. Castillo; A. Bernal; L. Patiny; J. Wist : A new method for the comparison of H-1 NMR predictors based on tree-similarity of spectra; Journal Of Cheminformatics. 2014. DOI : 10.1186/1758-2946-6-9.
A. Mauricio Castillo; L. Uribe; L. Patiny; J. Wist : Fast and shift-insensitive similarity comparisons of NMR using a tree-representation of spectra; Chemometrics And Intelligent Laboratory Systems. 2013. DOI : 10.1016/j.chemolab.2013.05.009.
L. Patiny; A. Borel : ChemCalc: a building block for tomorrow’s chemical infrastructure; Journal of Chemical Information and Modeling. 2013. DOI : 10.1021/ci300563h.
J. Camargo; P. Esseiva; F. Gonzalez; J. Wist; L. Patiny : Monitoring of illicit pill distribution networks using an image collection exploration framework; Forensic Science International. 2012. DOI : 10.1016/j.forsciint.2012.10.004.
D. F. Dos Santos Alves Jana / A.-C. Corminboeuf (Dir.) : Assessment of Intra- and Intermolecular Effects by Computational NMR. Lausanne, EPFL, 2012. DOI : 10.5075/epfl-thesis-5423.
J. Wist; L. Patiny : Structural Analysis from Classroom to Laboratory; Journal Of Chemical Education. 2012. DOI : 10.1021/ed200476h.
A. M. Castillo; L. Patiny; J. Wist : Fast and accurate algorithm for the simulation of NMR spectra of large spin systems; Journal Of Magnetic Resonance. 2011. DOI : 10.1016/j.jmr.2010.12.008.
I. Sushko; S. Novotarskyi; R. Koerner; A. K. Pandey; M. Rupp et al. : Online chemical modeling environment (OCHEM): web platform for data storage, model development and publishing of chemical information; Journal Of Computer-Aided Molecular Design. 2011. DOI : 10.1007/s10822-011-9440-2.
S. Bonazzi; D. Barbaras; L. Patiny; R. Scopelliti; P. Schneider et al. : Antimalarial and antitubercular nostocarboline and eudistomin derivatives: synthesis, in vitro and in vivo biological evaluation; Bioorganic & medicinal chemistry. 2010. DOI : 10.1016/j.bmc.2010.01.013.
T. Cretton : Vers la prédiction de spectres RMN. Comparaison de méthodes existantes ; 2009.
M. Schlosser; A. Borel; L. Patiny : Site Selective Functionalization of Fluorinated Nitrogen Heterocycles; Fluorinated Heterocycles; Washington, DC: American Chemical Society, 2009. p. 23-37.
D. Banfi; L. Patiny : www.nmrdb.org: Resurrecting and processing NMR spectra on-line. 2008. Fall Meeting of the Swiss-Chemical-Society, Lausanne, SWITZERLAND, Sep 12, 2007. p. 280-281. DOI : 10.2533/chimia.2008.280.
H. Rosset : Création d'exercices "en ligne" de chimie adapté au niveau du gymnase ; 2007.
L.-G. Minoia : Nouveaux algorithmes de prédiction de propriétés physico-chimiques ; 2005.
O. Turpin; M. Mutter; L. Patiny : Pseudo-prolines: Reversible, conformational trap of cyclosporin C as novel concept for prodrug design; Chimia. 2004.
D. Banfi; M. Mutter; L. Patiny : Versatile synthesis of Boc protected hydrazinoacetic acid and its application to the chemoselective ligation of TASP molecules; Protein and Peptide Letters. 2004. DOI : 10.2174/0929866043406274.
M. Mutter; A. Chandravarkar; C. Boyat; J. Lopez; S. Dos Santos et al. : Switch peptides in statu nascendi: Induction of conformational transitions relevant to degenerative diseases; Angewandte Chemie, International Edition. 2004. DOI : 10.1002/anie.200454045.
D. Banfi; M. Mutter; L. Patiny : Reversible ligations under physiological conditions; Biopolymers. 2003.
L. Patiny; J. Guichou; M. Keller; O. Turpin; T. Ruckle et al. : Synthesis and characterization of constrained cyclosporin A derivatives containing a pseudo-proline group; Tetrahedron. 2003. DOI : 10.1016/S0040-4020(03)00770-1.
J. Guichou; L. Patiny; M. Mutter : Pseudo-prolines (Psi Pro): direct insertion of Psi Pro systems into cysteine containing peptides; Tetrahedron Lett.. 2002. DOI : 10.1016/S0040-4039(02)00755-4.
E. H. Cerny; R. Levy; J. Mauel; M. Mpandi; M. Mutter et al. : Preclinical development of a vaccine 'against smoking'; Onkologie. 2002.
L. Patiny; J.-F. Guichou; J. Lage; O. Turpin; A. Hamel et al. : Structure-activity studies of novel D-Ser8-cyclosporine A derivatives as potential anti-HIV drugs. 2002. p. 1020-1021.
D. Banfi; B. Mandal; M. Mutter; L. Patiny : Evolutionary principles for generating protein mimetics: Directed assembly of peptide loops on topological templates; Acta Biochim. Pol.. 2001.
M. Keller; C. Boissard; L. Patiny; N. Chung; C. Lemieux et al. : Pseudoproline-containing analogues of morphiceptin and endomorphin-2: Evidence for a cis Tyr-Pro amide bond in the bioactive conformation; J. Med. Chem.. 2001. DOI : 10.1021/jm000332e.
J. Fernandez-Carneado; P. Durieux; L. Patiny; Y. Tatsu; D. Grell et al. : Pseudoproline libraries for tuning inhibitors of SH3 domain mediated protein-protein interactions. 2001. p. 185-186.
A. Wittelsberger; M. Keller; L. Scarpellino; L. Patiny; H. Acha-Orbea et al. : Pseudoprolines: Targeting a cis conformation in a mimetic of the gp120 v3 loop of HIV-1; Angewandte Chemie, International Edition. 2000. DOI : 10.1002/(SICI)1521-3773(20000317)39:6<1111::AID-ANIE1111>3.0.CO;2-D.
F. Hubler; T. Ruckle; L. Patiny; T. Muamba; J. Guichou et al. : Synthetic routes to NEtXaa(4)-cyclosporin A derivatives as potential anti-HIV I drugs; Tetrahedron Lett.. 2000. DOI : 10.1016/S0040-4039(00)01267-3.
M. Keller; T. Wohr; P. Dumy; L. Patiny; M. Mutter : Pseudoprolines (Psi Pro) in drug design: Direct insertion of Psi Pro systems into cyclosporin C; Chemistry - A European Journal. 2000.
Enseignement & Phd
Enseignement
- Chemistry and Chemical Engineering,
Programmes doctoraux
Doctorants
Cours
Analyse structurale
L'objectif de ce cours et d'apprendre à identifier la structure de petites molécules organiques au moyen des techniques de spectrométrie de masse, spectroscopie infra-rouge et résonance magnétique nucléaire. 
Chimie générale avancée II
Acquisition des notions fondamentales liées à la réactivité des molécules organiques, identification de la structure de petites molécules organiques au moyen des techniques de spectrométrie de masse, spectroscopie infra-rouge et résonance magnétique nuclé...
Chimie organique bio-orientée
L'objectif de ce cours est de présenter le travail du chimiste organicien et les différentes interactions avec les autres chercheurs dans le contexte de la recherche de nouvelles molécules actives.
Eléments de cheminformatique
Introduction aux concepts de base de cheminformatique et
aux principaux outils utilisés. Applications potentielles de ces outils
en recherche pour la gestion de l'information.
Mass spectrometry, principles and applications