Molecular similarity and diversity in chemoinformatics: from theory to applications AG Maldonado, JP Doucet, M Petitjean, BT Fan Molecular diversity 10, 39-79, 2006 | 268 | 2006 |
Applications of the radius-diameter diagram to the classification of topological and geometrical shapes of chemical compounds M Petitjean Journal of chemical information and computer sciences 32 (4), 331-337, 1992 | 208 | 1992 |
PockDrug-Server: a new web server for predicting pocket druggability on holo and apo proteins HA Hussein, A Borrel, C Geneix, M Petitjean, L Regad, AC Camproux Nucleic acids research 43 (W1), W436-W442, 2015 | 183 | 2015 |
Chirality and symmetry measures: A transdisciplinary review M Petitjean Entropy 5 (3), 271-312, 2003 | 168 | 2003 |
CoMPARA: Collaborative Modeling Project for Androgen Receptor Activity K Mansouri, N Kleinstreuer, AM Abdelaziz, D Alberga, VM Alves, ... Environmental Health Perspectives 128 (2), 027002, 2020 | 143 | 2020 |
Mass Spectrometry of Heterocyclic Compounds used for Flavouring G Vernin, M Petitjean Chemistry of heterocyclic compounds in flavours and aromas, 305-342, 1982 | 130* | 1982 |
On the analytical calculation of van der Waals surfaces and volumes: Some numerical aspects M Petitjean Journal of Computational Chemistry 15 (5), 507-523, 1994 | 127 | 1994 |
PockDrug: a model for predicting pocket druggability that overcomes pocket estimation uncertainties A Borrel, L Regad, H Xhaard, M Petitjean, AC Camproux Journal of chemical information and modeling 55 (4), 882-895, 2015 | 107 | 2015 |
Control of peptide nanotube diameter by chemical modifications of an aromatic residue involved in a single close contact C Tarabout, S Roux, F Gobeaux, N Fay, E Pouget, C Meriadec, M Ligeti, ... Proceedings of the National Academy of Sciences 108 (19), 7679-7684, 2011 | 82 | 2011 |
Global vision of druggability issues, applications and perspectives H Abi Hussein, C Geneix, M Petitjean, A Borrel, D Flatters, AC Camproux Drug Discovery Today 22 (2), 404-415, 2017 | 81 | 2017 |
On the root mean square quantitative chirality and quantitative symmetry measures M Petitjean Journal of Mathematical Physics 40 (9), 4587-4595, 1999 | 58 | 1999 |
Mass Spectra and Kovats' Indices Databank of Volatile Aroma Compounds G Vernin, M Petitjean, JC Poite, J Metzger, D Fraisse, KN Suon Computer Aids to Chemistry, 294-333, 1986 | 55* | 1986 |
A definition of symmetry M Petitjean Symmetry: Culture and Science 18 (2-3), 99-119, 2007 | 47 | 2007 |
Chiral mixtures M Petitjean Journal of Mathematical Physics 43 (8), 4147-4157, 2002 | 45 | 2002 |
Transferrins. A Mechanism for Iron Uptake by Lactoferrin. R Pakdaman, M Petitjean, JM El Hage Chahine European Journal of Biochemistry 254 (1), 144-153, 1998 | 44 | 1998 |
Computing cavities, channels, pores and pockets in proteins from non-spherical ligands models L Benkaidali, F André, B Maouche, P Siregar, M Benyettou, F Maurel, ... Bioinformatics 30 (6), 792-800, 2014 | 43 | 2014 |
Interactive maximal common 3D substructure searching with the combined SDM/RMS algorithm M Petitjean Computers & chemistry 22 (6), 463-465, 1998 | 36 | 1998 |
Mathematics of Distances and Applications MM Deza, M Petitjean, K Markov ITHEA, Sofia, 2012 | 33 | 2012 |
Ligand scaffold hopping combining 3D maximal substructure search and molecular similarity F Quintus, O Sperandio, J Grynberg, M Petitjean, P Tuffery BMC bioinformatics 10 (1), 245, 2009 | 28 | 2009 |
About second kind continuous chirality measures. 1. Planar sets M Petitjean Journal of Mathematical Chemistry 22 (2-4), 185-201, 1997 | 28 | 1997 |