| Generating conformer ensembles using a multiobjective genetic algorithm MJ Vainio, MS Johnson Journal of chemical information and modeling 47 (6), 2462-2474, 2007 | 419 | 2007 |
| ShaEP: molecular overlay based on shape and electrostatic potential MJ Vainio, JS Puranen, MS Johnson Journal of chemical information and modeling 49 (2), 492-502, 2009 | 222 | 2009 |
| Accurate conformation‐dependent molecular electrostatic potentials for high‐throughput in silico drug discovery JS Puranen, MJ Vainio, MS Johnson Journal of computational chemistry 31 (8), 1722-1732, 2010 | 116 | 2010 |
| Binding of phenolic compounds and their derivatives to bovine and reindeer β-lactoglobulin LH Riihimaki, MJ Vainio, JMS Heikura, KH Valkonen, VT Virtanen, ... Journal of agricultural and food chemistry 56 (17), 7721-7729, 2008 | 107 | 2008 |
| Big pharma screening collections: more of the same or unique libraries? The AstraZeneca–Bayer Pharma AG case T Kogej, N Blomberg, PJ Greasley, S Mundt, MJ Vainio, J Schamberger, ... Drug discovery today 18 (19-20), 1014-1024, 2013 | 80 | 2013 |
| Similarity based virtual screening: a tool for targeted library design JKO Alvesalo, A Siiskonen, MJ Vainio, PSM Tammela, PM Vuorela Journal of medicinal chemistry 49 (7), 2353-2356, 2006 | 53 | 2006 |
| Scaffold hopping by fragment replacement MJ Vainio, T Kogej, F Raubacher, J Sadowski Journal of chemical information and modeling 53 (7), 1825-1835, 2013 | 40 | 2013 |
| Optimization of radiation treatment plans for optimal treatment time in external-beam radiation treatments S Ollila, M Vainio, J Peltola, J Nord, E Kuusela, J Kauppinen, V Petäjä, ... US Patent 10,307,615, 2019 | 37 | 2019 |
| McQSAR: a multiconformational quantitative structure− activity relationship engine driven by genetic algorithms MJ Vainio, MS Johnson Journal of chemical information and modeling 45 (6), 1953-1961, 2005 | 37 | 2005 |
| Dynamic target masker in radiation treatment of multiple targets S Ollila, M Vainio, J Peltola, J Nord US Patent 10,449,389, 2019 | 30 | 2019 |
| Systems and methods for providing medical information and for performing a medically-related process using augmented reality technology AM Friman, R MacLaverty, J Peltola, MJ Vainio, STT OLLILA US Patent 11,024,084, 2021 | 28 | 2021 |
| Controlling and shaping the dose distribution outside treatment targets in external-beam radiation treatments S Ollila, M Vainio, J Peltola, J Nord US Patent 10,143,859, 2018 | 26 | 2018 |
| Generating time-efficient treatment field trajectories for external-beam radiation treatments S Ollila, M Vainio, J Peltola, J Nord, E Kuusela, J Kauppinen, V Petäjä, ... US Patent 10,272,264, 2019 | 25 | 2019 |
| Automated recycling of chemistry for virtual screening and library design MJ Vainio, T Kogej, F Raubacher Journal of chemical information and modeling 52 (7), 1777-1786, 2012 | 23 | 2012 |
| Systems and methods for providing medical information and for performing a medically-related process using augmented reality technology J Peltola, MJ Vainio, STT OLLILA, AM FRIMAN, R MacLaverty US Patent 10,825,251, 2020 | 19 | 2020 |
| The binding of synthetic retinoids to lipocalin β-lactoglobulins LH Riihimaki-Lampen, MJ Vainio, M Vahermo, LL Pohjala, JMS Heikura, ... Journal of medicinal chemistry 53 (1), 514-518, 2010 | 18 | 2010 |
| Algorithmic analysis of Cahn–Ingold–Prelog rules of stereochemistry: proposals for revised rules and a guide for machine implementation RM Hanson, S Musacchio, JW Mayfield, MJ Vainio, A Yerin, D Redkin Journal of chemical information and modeling 58 (9), 1755-1765, 2018 | 14 | 2018 |
| Molecular docking guided comparative GFA, G/PLS, SVM and ANN models of structurally diverse dual binding site acetylcholinesterase inhibitors S Gupta, A Fallarero, MJ Vainio, P Saravanan, J Santeri Puranen, ... Molecular informatics 30 (8), 689-706, 2011 | 13 | 2011 |
| Creating treatment field using initial field and patient specific geometry and achievable dose J Peltola, J Nord, S Ollila, M Vainio, E Kuusela US Patent 10,639,501, 2020 | 5 | 2020 |
| Generating time-efficient treatment field trajectories for external-beam radiation treatments S Ollila, M Vainio, J Peltola, J Nord, E Kuusela, J Kauppinen, V Petäjä, ... US Patent 11,285,339, 2022 | 2 | 2022 |
