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122 results
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Ligand scaffold hopping combining 3D maximal substructure search and molecular similarity.
Quintus F, Sperandio O, Grynberg J, Petitjean M, Tuffery P. Quintus F, et al. Among authors: petitjean m. BMC Bioinformatics. 2009 Aug 11;10:245. doi: 10.1186/1471-2105-10-245. BMC Bioinformatics. 2009. PMID: 19671127 Free PMC article.
Comment on "Bad Language": Resolving some Ambiguities about Chirality.
Petitjean M. Petitjean M. Angew Chem Int Ed Engl. 2020 May 11;59(20):7650-7651. doi: 10.1002/anie.201904314. Epub 2020 Apr 14. Angew Chem Int Ed Engl. 2020. PMID: 32291868
Molecular similarity and diversity in chemoinformatics: from theory to applications.
Maldonado AG, Doucet JP, Petitjean M, Fan BT. Maldonado AG, et al. Among authors: petitjean m. Mol Divers. 2006 Feb;10(1):39-79. doi: 10.1007/s11030-006-8697-1. Mol Divers. 2006. PMID: 16404528 Review.
MolDiA: a novel molecular diversity analysis tool. 1. Principles and architecture.
Maldonado AG, Doucet JP, Petitjean M, Fan BT. Maldonado AG, et al. Among authors: petitjean m. J Chem Inf Model. 2007 Nov-Dec;47(6):2197-207. doi: 10.1021/ci700120v. Epub 2007 Nov 3. J Chem Inf Model. 2007. PMID: 17979264
Computing cavities, channels, pores and pockets in proteins from non-spherical ligands models.
Benkaidali L, André F, Maouche B, Siregar P, Benyettou M, Maurel F, Petitjean M. Benkaidali L, et al. Among authors: petitjean m. Bioinformatics. 2014 Mar 15;30(6):792-800. doi: 10.1093/bioinformatics/btt644. Epub 2013 Nov 7. Bioinformatics. 2014. PMID: 24202541
VIRAPOPS: a forward simulator dedicated to rapidly evolved viral populations.
Petitjean M, Vanet A. Petitjean M, et al. Bioinformatics. 2014 Feb 15;30(4):578-80. doi: 10.1093/bioinformatics/btt724. Epub 2013 Dec 12. Bioinformatics. 2014. PMID: 24336644
PockDrug: A Model for Predicting Pocket Druggability That Overcomes Pocket Estimation Uncertainties.
Borrel A, Regad L, Xhaard H, Petitjean M, Camproux AC. Borrel A, et al. Among authors: petitjean m. J Chem Inf Model. 2015 Apr 27;55(4):882-95. doi: 10.1021/ci5006004. Epub 2015 Apr 16. J Chem Inf Model. 2015. PMID: 25835082
Synthetic lethals in HIV: ways to avoid drug resistance : Running title: Preventing HIV resistance.
Petitjean M, Badel A, Veitia RA, Vanet A. Petitjean M, et al. Biol Direct. 2015 Apr 17;10:17. doi: 10.1186/s13062-015-0044-y. Biol Direct. 2015. PMID: 25888435 Free PMC article.
PockDrug-Server: a new web server for predicting pocket druggability on holo and apo proteins.
Hussein HA, Borrel A, Geneix C, Petitjean M, Regad L, Camproux AC. Hussein HA, et al. Among authors: petitjean m. Nucleic Acids Res. 2015 Jul 1;43(W1):W436-42. doi: 10.1093/nar/gkv462. Epub 2015 May 8. Nucleic Acids Res. 2015. PMID: 25956651 Free PMC article.
Global vision of druggability issues: applications and perspectives.
Abi Hussein H, Geneix C, Petitjean M, Borrel A, Flatters D, Camproux AC. Abi Hussein H, et al. Among authors: petitjean m. Drug Discov Today. 2017 Feb;22(2):404-415. doi: 10.1016/j.drudis.2016.11.021. Epub 2016 Dec 6. Drug Discov Today. 2017. PMID: 27939283 Review.
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