Luc Patiny
luc.patiny@epfl.ch +41 21 693 94 69 http://cheminformatics.epfl.ch
EPFL SB ISIC-GE
CH G1 621 (Bâtiment CH)
Station 6
CH-1015 Lausanne
Web site: Site web: https://isic.epfl.ch/
41 21 693 94 69
Local: CH G1 621
EPFL
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Publications
Publications Infoscience
Publications
A data-driven perspective on the colours of metal-organic frameworks
Chemical Science. 2021-03-14. DOI : 10.1039/d0sc05337f.A biosensor for measuring NAD( ) levels at the point of care
Nature Metabolism. 2019-12-01. DOI : 10.1038/s42255-019-0151-7.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.Teaching NMR spectra analysis with nmr.cheminfo.org
MAGNETIC RESONANCE IN CHEMISTRY. 2018. DOI : 10.1002/mrc.4733.Augmenting Research, Education, and Outreach with Client-Side Web Programming
TRENDS IN BIOTECHNOLOGY. 2018. DOI : 10.1016/j.tibtech.2017.11.009.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.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.Open Source Drug Discovery: Highly Potent Antimalarial Compounds Derived from the Tres Cantos Arylpyrroles
Acs Central Science. 2016. DOI : 10.1021/acscentsci.6b00086.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.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.A virtual screening approach to identifying the greenest compound for a task: application to switchable-hydrophilicity solvents
Green Chemistry. 2015. DOI : 10.1039/c5gc01022e.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.Fully automatic assignment of small molecules' NMR spectra without relying on chemical shift predictions
Magnetic Resonance In Chemistry. 2015. DOI : 10.1002/mrc.4272.Wikipedia Chemical Structure Explorer: substructure and similarity searching of molecules from Wikipedia
Journal Of Cheminformatics. 2015. DOI : 10.1186/s13321-015-0061-y.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.How Accurately Can We Predict the Melting Points of Drug-like Compounds?
Journal Of Chemical Information And Modeling. 2014. DOI : 10.1021/ci5005288.Bioluminescent sensor proteins for point-of-care therapeutic drug monitoring
Nature Chemical Biology. 2014. DOI : 10.1038/nchembio.1554.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.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.ChemCalc: a building block for tomorrow’s chemical infrastructure
Journal of Chemical Information and Modeling. 2013. DOI : 10.1021/ci300563h.Monitoring of illicit pill distribution networks using an image collection exploration framework
Forensic Science International. 2012. DOI : 10.1016/j.forsciint.2012.10.004.Assessment of Intra- and Intermolecular Effects by Computational NMR
Lausanne, EPFL, 2012. DOI : 10.5075/epfl-thesis-5423.Structural Analysis from Classroom to Laboratory
Journal Of Chemical Education. 2012. DOI : 10.1021/ed200476h.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.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.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.Vers la prédiction de spectres RMN. Comparaison de méthodes existantes
2009Site Selective Functionalization of Fluorinated Nitrogen Heterocycles
Fluorinated Heterocycles; Washington, DC: American Chemical Society, 2009. p. 23-37.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.Création d'exercices "en ligne" de chimie adapté au niveau du gymnase
2007Nouveaux algorithmes de prédiction de propriétés physico-chimiques
2005Pseudo-prolines: Reversible, conformational trap of cyclosporin C as novel concept for prodrug design
Chimia. 2004.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.Switch peptides in statu nascendi: Induction of conformational transitions relevant to degenerative diseases
Angewandte Chemie, International Edition. 2004. DOI : 10.1002/anie.200454045.Reversible ligations under physiological conditions
Biopolymers. 2003.Synthesis and characterization of constrained cyclosporin A derivatives containing a pseudo-proline group
Tetrahedron. 2003. DOI : 10.1016/S0040-4020(03)00770-1.Pseudo-prolines (Psi Pro): direct insertion of Psi Pro systems into cysteine containing peptides
Tetrahedron Letters. 2002. DOI : 10.1016/S0040-4039(02)00755-4.Preclinical development of a vaccine 'against smoking'
Onkologie. 2002.Structure-activity studies of novel D-Ser8-cyclosporine A derivatives as potential anti-HIV drugs
2002. p. 1020-1021.Evolutionary principles for generating protein mimetics: Directed assembly of peptide loops on topological templates
Acta Biochimica Polonica. 2001.Pseudoproline-containing analogues of morphiceptin and endomorphin-2: Evidence for a cis Tyr-Pro amide bond in the bioactive conformation
Journal of Medicinal Chemistry. 2001. DOI : 10.1021/jm000332e.Pseudoproline libraries for tuning inhibitors of SH3 domain mediated protein-protein interactions
2001. p. 185-186.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.Synthetic routes to NEtXaa(4)-cyclosporin A derivatives as potential anti-HIV I drugs
Tetrahedron Letters. 2000. DOI : 10.1016/S0040-4039(00)01267-3.Pseudoprolines (Psi Pro) in drug design: Direct insertion of Psi Pro systems into cyclosporin C
Chemistry - A European Journal. 2000. DOI : 10.1002/1521-3765(20001201)6:23%3C4358::AID-CHEM4358%3E3.0.CO;2-W.Enseignement & Phd
Enseignement
Chemistry and Chemical Engineering