| Matched molecular pairs as a guide in the optimization of pharmaceutical properties; a study of aqueous solubility, plasma protein binding and oral exposure AG Leach, HD Jones, DA Cosgrove, PW Kenny, L Ruston, P MacFaul, ... Journal of medicinal chemistry 49 (23), 6672-6682, 2006 | 310 | 2006 |
| SARS-CoV-2 infects the human kidney and drives fibrosis in kidney organoids J Jansen, KC Reimer, JS Nagai, FS Varghese, GJ Overheul, M de Beer, ... Cell stem cell 29 (2), 217-231. e8, 2022 | 261 | 2022 |
| Structure modification in chemical databases PW Kenny, J Sadowski Chemoinformatics in drug discovery, 271-285, 2005 | 256 | 2005 |
| Hydrogen-bond donors in drug design PW Kenny Journal of medicinal chemistry 65 (21), 14261-14275, 2022 | 210 | 2022 |
| Hydrogen bonding, electrostatic potential, and molecular design PW Kenny Journal of chemical information and modeling 49 (5), 1234-1244, 2009 | 176 | 2009 |
| Identification of compounds with nanomolar binding affinity for checkpoint kinase-1 using knowledge-based virtual screening PD Lyne, PW Kenny, DA Cosgrove, C Deng, S Zabludoff, JJ Wendoloski, ... Journal of medicinal chemistry 47 (8), 1962-1968, 2004 | 169 | 2004 |
| An integrated approach to fragment-based lead generation: philosophy, strategy and case studies from AstraZeneca's drug discovery programmes JS Albert, N Blomberg, AL Breeze, AJH Brown, JN Burrows, PD Edwards, ... Current Topics in Medicinal Chemistry 7 (16), 1600-1629, 2007 | 157 | 2007 |
| Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors ML Boby, D Fearon, M Ferla, M Filep, L Koekemoer, MC Robinson, ... Science 382 (6671), eabo7201, 2023 | 156 | 2023 |
| Pharmacophoric pattern matching in files of three-dimensional chemical structures: Comparison of conformational-searching algorithms for flexible searching DE Clark, G Jones, P Willett, PW Kenny, RC Glen Journal of Chemical Information and Computer Sciences 34 (1), 197-206, 1994 | 139 | 1994 |
| Structure-based design of protein tyrosine phosphatase-1B inhibitors E Black, J Breed, AL Breeze, K Embrey, R Garcia, TW Gero, L Godfrey, ... Bioorganic & medicinal chemistry letters 15 (10), 2503-2507, 2005 | 122 | 2005 |
| The nature of ligand efficiency PW Kenny Journal of cheminformatics 11 (1), 8, 2019 | 113 | 2019 |
| Design of compound libraries for fragment screening N Blomberg, DA Cosgrove, PW Kenny, K Kolmodin Journal of computer-aided molecular design 23 (8), 513-525, 2009 | 96 | 2009 |
| Inflation of correlation in the pursuit of drug-likeness PW Kenny, CA Montanari Journal of computer-aided molecular design 27 (1), 1-13, 2013 | 91 | 2013 |
| Molecular design, synthesis and trypanocidal activity of dipeptidyl nitriles as cruzain inhibitors LAA Avelar, CD Camilo, S de Albuquerque, WB Fernandes, C Goncalez, ... PLOS Neglected Tropical Diseases 9 (7), e0003916, 2015 | 89 | 2015 |
| Prediction of hydrogen bond basicity from computed molecular electrostatic properties: implications for comparative molecular field analysis PW Kenny Journal of the Chemical Society, Perkin Transactions 2, 199-202, 1994 | 79 | 1994 |
| New nonpeptide angiotensin II receptor antagonists. 3. Synthesis, biological properties, and structure-activity relationships of 2-alkyl-4-(biphenylylmethoxy) pyridine derivatives RH Bradbury, CP Allott, M Dennis, JA Girdwood, PW Kenny, JS Major, ... Journal of medicinal chemistry 36 (9), 1245-1254, 1993 | 79 | 1993 |
| Dipeptidyl nitrile inhibitors of Cathepsin L N Asaad, PA Bethel, MD Coulson, JE Dawson, SJ Ford, S Gerhardt, ... Bioorganic & medicinal chemistry letters 19 (15), 4280-4283, 2009 | 69 | 2009 |
| Ligand efficiency metrics considered harmful PW Kenny, A Leitao, CA Montanari Journal of Computer-Aided Molecular Design 28 (7), 699-710, 2014 | 64 | 2014 |
| COVID moonshot: open science discovery of SARS-CoV-2 main protease inhibitors by combining crowdsourcing, high-throughput experiments, computational simulations, and machine … H Achdout, A Aimon, E Bar-David, GM Morris BioRxiv, 2020 | 61 | 2020 |
| Toward prediction of alkane/water partition coefficients A Toulmin, JM Wood, PW Kenny Journal of medicinal chemistry 51 (13), 3720-3730, 2008 | 60 | 2008 |
Carlos Alberto MontanariUniversity of Sao PauloVerified email at usp.br
