| Recognizing pitfalls in virtual screening: a critical review T Scior, A Bender, G Tresadern, JL Medina-Franco, K Martínez-Mayorga, ... Journal of chemical information and modeling 52 (4), 867-881, 2012 | 467 | 2012 |
| How to recognize and workaround pitfalls in QSAR studies: a critical review T Scior, JL Medina-Franco, QT Do, K Martínez-Mayorga, JA Yunes Rojas, ... Current medicinal chemistry 16 (32), 4297-4313, 2009 | 240 | 2009 |
| Integrating virtual screening and combinatorial chemistry for accelerated drug discovery F López-Vallejo, T Caulfield, K Martínez-Mayorga, M A Giulianotti, A Nefzi, ... Combinatorial Chemistry & High Throughput Screening 14 (6), 475-487, 2011 | 184 | 2011 |
| Two protonation switches control rhodopsin activation in membranes M Mahalingam, K Martínez-Mayorga, MF Brown, R Vogel Proceedings of the National Academy of Sciences 105 (46), 17795-17800, 2008 | 174 | 2008 |
| Characterization of Activity Landscapes Using 2D and 3D Similarity Methods: Consensus Activity Cliffs JL Medina-Franco, K Martínez-Mayorga, A Bender, RM Marín, ... Journal of chemical information and modeling 49 (2), 477-491, 2009 | 168 | 2009 |
| Visualization of the chemical space in drug discovery JL Medina-Franco, K Martínez-Mayorga, MA Giulianotti, RA Houghten, ... Current Computer-Aided Drug Design 4 (4), 322-333, 2008 | 168 | 2008 |
| Mu-Opioid receptor biased ligands: A safer and painless discovery of analgesics? A Madariaga-Mazón, AF Marmolejo-Valencia, Y Li, L Toll, RA Houghten, ... Drug discovery today 22 (11), 1719-1729, 2017 | 115 | 2017 |
| Retinal counterion switch mechanism in vision evaluated by molecular simulations K Martínez-Mayorga, MC Pitman, A Grossfield, SE Feller, MF Brown Journal of the American Chemical Society 128 (51), 16502-16503, 2006 | 94 | 2006 |
| Scaffold diversity analysis of compound data sets using an entropy‐based measure JL Medina‐Franco, K Martínez‐Mayorga, A Bender, T Scior QSAR & Combinatorial Science 28 (11‐12), 1551-1560, 2009 | 90 | 2009 |
| Retinal dynamics underlie its switch from inverse agonist to agonist during rhodopsin activation AV Struts, GFJ Salgado, K Martínez-Mayorga, MF Brown Nature structural & molecular biology 18 (3), 392-394, 2011 | 88 | 2011 |
| The impact of chemoinformatics on drug discovery in the pharmaceutical industry K Martinez-Mayorga, A Madariaga-Mazon, JL Medina-Franco, ... Expert Opinion on Drug Discovery 15 (3), 293-306, 2020 | 83 | 2020 |
| Cruzain inhibitors: efforts made, current leads and a structural outlook of new hits K Martinez-Mayorga, KG Byler, AI Ramirez-Hernandez, ... Drug Discovery Today 20 (7), 890-898, 2015 | 82 | 2015 |
| Database fingerprint (DFP): an approach to represent molecular databases E Fernández-de Gortari, CR García-Jacas, K Martinez-Mayorga, ... Journal of cheminformatics 9, 1-9, 2017 | 76 | 2017 |
| Consensus models of activity landscapes with multiple chemical, conformer, and property representations AB Yongye, K Byler, R Santos, K Martínez-Mayorga, GM Maggiora, ... Journal of chemical information and modeling 51 (6), 1259-1270, 2011 | 70 | 2011 |
| Pyridin‐2(1H)‐ones: A Promising Class of HIV‐1 Non‐nucleoside Reverse Transcriptase Inhibitors JL Medina‐Franco, K Martínez‐Mayorga, C Juárez‐Gordiano, R Castillo ChemMedChem: Chemistry Enabling Drug Discovery 2 (8), 1141-1147, 2007 | 63 | 2007 |
| QuBiLS-MAS, open source multi-platform software for atom- and bond-based topological (2D) and chiral (2.5D) algebraic molecular descriptors computations JR Valdés-Martiní, Y Marrero-Ponce, CR García-Jacas, ... Journal of cheminformatics 9, 1-26, 2017 | 62 | 2017 |
| Multitarget structure–activity relationships characterized by activity-difference maps and consensus similarity measure JL Medina-Franco, AB Yongye, J Pérez-Villanueva, RA Houghten, ... Journal of chemical information and modeling 51 (9), 2427-2439, 2011 | 55 | 2011 |
| Balancing novelty with confined chemical space in modern drug discovery JL Medina-Franco, K Martinez-Mayorga, N Meurice Expert Opinion on Drug Discovery 9 (2), 151-165, 2014 | 54 | 2014 |
| Synthesis, in vitro and computational studies of protein tyrosine phosphatase 1B inhibition of a small library of 2-arylsulfonylaminobenzothiazoles with antihyperglycemic activity G Navarrete-Vazquez, P Paoli, I León-Rivera, R Villalobos-Molina, ... Bioorganic & medicinal chemistry 17 (9), 3332-3341, 2009 | 54 | 2009 |
| Retinal ligand mobility explains internal hydration and reconciles active rhodopsin structures N Leioatts, B Mertz, K Martínez-Mayorga, TD Romo, MC Pitman, SE Feller, ... Biochemistry 53 (2), 376-385, 2014 | 53 | 2014 |
Jose L. Medina-FrancoUniversidad Nacional Autonoma de Mexico (UNAM)Verified email at unam.mx
