| Generation of a set of simple, interpretable ADMET rules of thumb MP Gleeson Journal of medicinal chemistry 51 (4), 817-834, 2008 | 999 | 2008 |
| Probing the links between in vitro potency, ADMET and physicochemical parameters MP Gleeson, A Hersey, D Montanari, J Overington Nature reviews Drug discovery 10 (3), 197-208, 2011 | 515 | 2011 |
| The importance of the domain of applicability in QSAR modeling S Weaver, MP Gleeson Journal of Molecular Graphics and Modelling 26 (8), 1315-1326, 2008 | 338 | 2008 |
| In-silico ADME models: a general assessment of their utility in drug discovery applications M Paul Gleeson, A Hersey, S Hannongbua Current topics in medicinal chemistry 11 (4), 358-381, 2011 | 210 | 2011 |
| ADMET rules of thumb II: a comparison of the effects of common substituents on a range of ADMET parameters P Gleeson, G Bravi, S Modi, D Lowe Bioorganic & medicinal chemistry 17 (16), 5906-5919, 2009 | 145 | 2009 |
| Towards reproducible computational drug discovery N Schaduangrat, S Lampa, S Simeon, MP Gleeson, O Spjuth, ... Journal of cheminformatics 12, 1-30, 2020 | 136 | 2020 |
| Plasma protein binding affinity and its relationship to molecular structure: an in-silico analysis MP Gleeson Journal of medicinal chemistry 50 (1), 101-112, 2007 | 128 | 2007 |
| The challenges involved in modeling toxicity data in silico: a review MP Gleeson, S Modi, A Bender, R L Marchese Robinson, J Kirchmair, ... Current pharmaceutical design 18 (9), 1266-1291, 2012 | 110 | 2012 |
| In Silico Human and Rat Vss Quantitative Structure−Activity Relationship Models MP Gleeson, NJ Waters, SW Paine, AM Davis Journal of medicinal chemistry 49 (6), 1953-1963, 2006 | 100 | 2006 |
| QM/MM calculations in drug discovery: a useful method for studying binding phenomena? MP Gleeson, D Gleeson Journal of chemical information and modeling 49 (3), 670-677, 2009 | 99 | 2009 |
| Influenza A virus molecularly imprinted polymers and their application in virus sub-type classification T Wangchareansak, A Thitithanyanont, D Chuakheaw, MP Gleeson, ... Journal of Materials Chemistry B 1 (16), 2190-2197, 2013 | 88 | 2013 |
| Generation of in-silico cytochrome P450 1A2, 2C9, 2C19, 2D6, and 3A4 inhibition QSAR models MP Gleeson, AM Davis, KK Chohan, SW Paine, S Boyer, CL Gavaghan, ... Journal of computer-aided molecular design 21, 559-573, 2007 | 83 | 2007 |
| QM/MM as a tool in fragment based drug discovery. A cross-docking, rescoring study of kinase inhibitors MP Gleeson, D Gleeson Journal of chemical information and modeling 49 (6), 1437-1448, 2009 | 57 | 2009 |
| A novel approach to identify molecular binding to the influenza virus H5N1: screening using molecularly imprinted polymers (MIPs) T Wangchareansak, A Thitithanyanont, D Chuakheaw, MP Gleeson, ... MedChemComm 5 (5), 617-621, 2014 | 48 | 2014 |
| Elucidating the origin of the esterase activity of human serum albumin using QM/MM calculations O Phuangsawai, S Hannongbua, MP Gleeson The Journal of Physical Chemistry B 118 (41), 11886-11894, 2014 | 33 | 2014 |
| Towards predicting the cytochrome P450 modulation: from QSAR to proteochemometric modeling W Shoombuatong, P Prathipati, V Prachayasittikul, N Schaduangrat, ... Current drug metabolism 18 (6), 540-555, 2017 | 32 | 2017 |
| Assessing the drug-likeness of lamellarins, a marine-derived natural product class with diverse oncological activities M Chittchang, MP Gleeson, P Ploypradith, S Ruchirawat European journal of medicinal chemistry 45 (6), 2165-2172, 2010 | 32 | 2010 |
| Synthesis of Substituted 2-Arylindanes from E-(2-Stilbenyl)methanols via Lewis Acid-Mediated Cyclization and Nucleophililc Transfer from Trialkylsilyl Reagents P Sarnpitak, K Trongchit, Y Kostenko, S Sathalalai, MP Gleeson, ... The Journal of Organic Chemistry 78 (17), 8281-8296, 2013 | 29 | 2013 |
| Strategies for the generation, validation and application of in silico ADMET models in lead generation and optimization MP Gleeson, D Montanari Expert Opinion on Drug Metabolism & Toxicology 8 (11), 1435-1446, 2012 | 27 | 2012 |
| Application of drug efficiency index in drug discovery: a strategy towards low therapeutic dose D Montanari, E Chiarparin, MP Gleeson, S Braggio, R Longhi, K Valko, ... Expert Opinion on Drug Discovery 6 (9), 913-920, 2011 | 27 | 2011 |
