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Inflation of correlation in the pursuit of drug-likeness.
Kenny PW, Montanari CA. Kenny PW, et al. Among authors: montanari ca. J Comput Aided Mol Des. 2013 Jan;27(1):1-13. doi: 10.1007/s10822-012-9631-5. Epub 2013 Jan 10. J Comput Aided Mol Des. 2013. PMID: 23306465
Automated molecule editing in molecular design.
Kenny PW, Montanari CA, Prokopczyk IM, Sala FA, Sartori GR. Kenny PW, et al. Among authors: montanari ca. J Comput Aided Mol Des. 2013 Aug;27(8):655-64. doi: 10.1007/s10822-013-9676-0. Epub 2013 Sep 4. J Comput Aided Mol Des. 2013. PMID: 24002455
Ligand efficiency metrics considered harmful.
Kenny PW, Leitão A, Montanari CA. Kenny PW, et al. Among authors: montanari ca. J Comput Aided Mol Des. 2014 Jul;28(7):699-710. doi: 10.1007/s10822-014-9757-8. Epub 2014 Jun 5. J Comput Aided Mol Des. 2014. PMID: 24899110
Molecular Design, Synthesis and Trypanocidal Activity of Dipeptidyl Nitriles as Cruzain Inhibitors.
Avelar LA, Camilo CD, de Albuquerque S, Fernandes WB, Gonçalez C, Kenny PW, Leitão A, McKerrow JH, Montanari CA, Orozco EV, Ribeiro JF, Rocha JR, Rosini F, Saidel ME. Avelar LA, et al. Among authors: montanari ca. PLoS Negl Trop Dis. 2015 Jul 14;9(7):e0003916. doi: 10.1371/journal.pntd.0003916. eCollection 2015. PLoS Negl Trop Dis. 2015. PMID: 26173110 Free PMC article.
Hydrogen Bond Basicity Prediction for Medicinal Chemistry Design.
Kenny PW, Montanari CA, Prokopczyk IM, Ribeiro JF, Sartori GR. Kenny PW, et al. Among authors: montanari ca. J Med Chem. 2016 May 12;59(9):4278-88. doi: 10.1021/acs.jmedchem.5b01946. Epub 2016 Feb 26. J Med Chem. 2016. PMID: 26872049
The influence of hydrogen bonding on partition coefficients.
Borges NM, Kenny PW, Montanari CA, Prokopczyk IM, Ribeiro JF, Rocha JR, Sartori GR. Borges NM, et al. Among authors: montanari ca. J Comput Aided Mol Des. 2017 Feb;31(2):163-181. doi: 10.1007/s10822-016-0002-5. Epub 2017 Jan 4. J Comput Aided Mol Des. 2017. PMID: 28054187
Anti-trypanosomal activity of non-peptidic nitrile-based cysteine protease inhibitors.
Burtoloso AC, de Albuquerque S, Furber M, Gomes JC, Gonçalez C, Kenny PW, Leitão A, Montanari CA, Quilles JC Júnior, Ribeiro JF, Rocha JR. Burtoloso AC, et al. Among authors: montanari ca. PLoS Negl Trop Dis. 2017 Feb 21;11(2):e0005343. doi: 10.1371/journal.pntd.0005343. eCollection 2017 Feb. PLoS Negl Trop Dis. 2017. PMID: 28222138 Free PMC article.
84 results