| An automated force field topology builder (ATB) and repository: version 1.0 AK Malde, L Zuo, M Breeze, M Stroet, D Poger, PC Nair, C Oostenbrink, ... Journal of chemical theory and computation 7 (12), 4026-4037, 2011 | 1773 | 2011 |
| The UDP-glycosyltransferase (UGT) superfamily: new members, new functions, and novel paradigms R Meech, DG Hu, RA McKinnon, SN Mubarokah, AZ Haines, PC Nair, ... Physiological Reviews 99 (2), 1153-1222, 2019 | 279 | 2019 |
| Cytochrome P450 structure–function: insights from molecular dynamics simulations PC Nair, RA McKinnon, JO Miners Drug metabolism reviews 48 (3), 434-452, 2016 | 103 | 2016 |
| Molecular dynamics simulations: from structure function relationships to drug discovery PC Nair, JO Miners In silico pharmacology 2, 1-4, 2014 | 93 | 2014 |
| Binding of clozapine to the GABAB receptor: clinical and structural insights PC Nair, RA McKinnon, JO Miners, T Bastiampillai Molecular psychiatry 25 (9), 1910-1919, 2020 | 72 | 2020 |
| A novel function for UDP glycosyltransferase 8: galactosidation of bile acids R Meech, N Mubarokah, A Shivasami, A Rogers, PC Nair, DG Hu, ... Molecular pharmacology 87 (3), 442-450, 2015 | 66 | 2015 |
| Comparison of enveloping distribution sampling and thermodynamic integration to calculate binding free energies of phenylethanolamine N-methyltransferase inhibitors S Riniker, CD Christ, N Hansen, AE Mark, PC Nair, WF van Gunsteren The Journal of chemical physics 135 (2), 2011 | 59 | 2011 |
| Quantitative structure activity relationship studies on thiourea analogues as influenza virus neuraminidase inhibitors PC Nair, ME Sobhia European journal of medicinal chemistry 43 (2), 293-299, 2008 | 46 | 2008 |
| The UGTome: The expanding diversity of UDP glycosyltransferases and its impact on small molecule metabolism DG Hu, PC Nair, AZ Haines, RA McKinnon, PI Mackenzie, R Meech Pharmacology & therapeutics 204, 107414, 2019 | 39 | 2019 |
| Insights into the UDP-sugar selectivities of human UDP-glycosyltransferases (UGT): a molecular modeling perspective PC Nair, R Meech, PI Mackenzie, RA McKinnon, JO Miners Drug metabolism reviews 47 (3), 335-345, 2015 | 39 | 2015 |
| Missing fragments: detecting cooperative binding in fragment-based drug design PC Nair, AK Malde, N Drinkwater, AE Mark ACS Medicinal Chemistry Letters 3 (4), 322-326, 2012 | 35 | 2012 |
| CoMFA based de novo design of pyridazine analogs as PTP1B inhibitors PC Nair, ME Sobhia Journal of Molecular Graphics and Modelling 26 (1), 117-123, 2007 | 35 | 2007 |
| Human UDP-glucuronosyltransferase (UGT) 2B10: validation of cotinine as a selective probe substrate, inhibition by UGT enzyme-selective inhibitors and antidepressant and … A Pattanawongsa, PC Nair, A Rowland, JO Miners Drug metabolism and disposition 44 (3), 378-388, 2016 | 31 | 2016 |
| The nonspecific binding of tyrosine kinase inhibitors to human liver microsomes K Burns, PC Nair, A Rowland, PI Mackenzie, KM Knights, JO Miners Drug Metabolism and Disposition 43 (12), 1934-1937, 2015 | 31 | 2015 |
| Fingerprint directed scaffold hopping for identification of CCR2 antagonists PC Nair, ME Sobhia Journal of chemical information and modeling 48 (9), 1891-1902, 2008 | 28 | 2008 |
| Binding of SEP-363856 within TAAR1 and the 5HT1A receptor: implications for the design of novel antipsychotic drugs PC Nair, JO Miners, RA McKinnon, CJ Langmead, KJ Gregory, D Copolov, ... Molecular Psychiatry 27 (1), 88-94, 2022 | 25 | 2022 |
| Inhibition of human UDP-glucuronosyltransferase (UGT) enzymes by kinase inhibitors: effects of dabrafenib, ibrutinib, nintedanib, trametinib and BIBF 1202 P Korprasertthaworn, N Chau, PC Nair, A Rowland, JO Miners Biochemical Pharmacology 169, 113616, 2019 | 25 | 2019 |
| Comparative QSTR studies for predicting mutagenicity of nitro compounds PC Nair, ME Sobhia Journal of Molecular Graphics and Modelling 26 (6), 916-934, 2008 | 25 | 2008 |
| QSAR studies on CCR2 antagonists with chiral sensitive hologram descriptors PC Nair, K Srikanth, ME Sobhia Bioorganic & medicinal chemistry letters 18 (4), 1323-1330, 2008 | 22 | 2008 |
| Warfarin resistance associated with genetic polymorphism of VKORC1: linking clinical response to molecular mechanism using computational modeling BC Lewis, PC Nair, SS Heran, AA Somogyi, JJ Bowden, MP Doogue, ... Pharmacogenetics and genomics 26 (1), 44-50, 2016 | 20 | 2016 |
Ross McKinnonFlinders University在 flinders.edu.au 的电子邮件经过验证
