| Binding affinity via docking: fact and fiction T Pantsar, A Poso Molecules 23 (8), 1899, 2018 | 607 | 2018 |
| Molecular dynamics simulations in drug discovery and pharmaceutical development OMH Salo-Ahen, I Alanko, R Bhadane, AMJJ Bonvin, RV Honorato, ... Processes 9 (1), 71, 2020 | 410 | 2020 |
| A MYC–aurora kinase A protein complex represents an actionable drug target in p53-altered liver cancer D Dauch, R Rudalska, G Cossa, JC Nault, TW Kang, T Wuestefeld, ... Nature medicine 22 (7), 744-753, 2016 | 300 | 2016 |
| The current understanding of KRAS protein structure and dynamics T Pantsar Computational and structural biotechnology journal 18, 189-198, 2020 | 248 | 2020 |
| Piperazine and piperidine triazole ureas as ultrapotent and highly selective inhibitors of monoacylglycerol lipase N Aaltonen, JR Savinainen, CR Ribas, J Rönkkö, A Kuusisto, J Korhonen, ... Chemistry & biology 20 (3), 379-390, 2013 | 121 | 2013 |
| Assessment of mutation probabilities of KRAS G12 missense mutants and their long-timescale dynamics by atomistic molecular simulations and Markov state modeling T Pantsar, S Rissanen, D Dauch, T Laitinen, I Vattulainen, A Poso PLoS computational biology 14 (9), e1006458, 2018 | 85 | 2018 |
| KRAS (G12C)–AMG 510 interaction dynamics revealed by all-atom molecular dynamics simulations T Pantsar Scientific reports 10 (1), 11992, 2020 | 47 | 2020 |
| Robust hydrolysis of prostaglandin glycerol esters by human monoacylglycerol lipase (MAGL) JR Savinainen, E Kansanen, T Pantsar, D Navia-Paldanius, T Parkkari, ... Molecular pharmacology 86 (5), 522-535, 2014 | 43 | 2014 |
| The use of molecular descriptors in the development of co-amorphous formulations H Meng-Lund, G Kasten, KT Jensen, A Poso, T Pantsar, T Rades, ... European Journal of Pharmaceutical Sciences 119, 31-38, 2018 | 39 | 2018 |
| Molecular dynamics simulations in drug discovery and pharmaceutical development. Processes 2020; 9 (1): 71 OMH Salo-Ahen, I Alanko, R Bhadane, A Bonvin, RV Honorato, ... | 33 | |
| Decisive role of water and protein dynamics in residence time of p38α MAP kinase inhibitors T Pantsar, PD Kaiser, M Kudolo, M Forster, U Rothbauer, SA Laufer Nature Communications 13 (1), 569, 2022 | 30 | 2022 |
| Pyridinylimidazoles as dual glycogen synthase kinase 3β/p38α mitogen-activated protein kinase inhibitors F Heider, F Ansideri, R Tesch, T Pantsar, U Haun, E Döring, M Kudolo, ... European journal of medicinal chemistry 175, 309-329, 2019 | 30 | 2019 |
| Mutation of Cys242 of human monoacylglycerol lipase disrupts balanced hydrolysis of 1-and 2-monoacylglycerols and selectively impairs inhibitor potency T Laitinen, D Navia-Paldanius, R Rytilahti, JJT Marjamaa, J Kařízková, ... Molecular Pharmacology 85 (3), 510-519, 2014 | 21 | 2014 |
| Bioisosteric Replacement of Arylamide-Linked Spine Residues with N-Acylhydrazones and Selenophenes as a Design Strategy to Novel Dibenzosuberone … JGB Pedreira, P Nahidino, M Kudolo, T Pantsar, BT Berger, M Forster, ... Journal of Medicinal Chemistry 63 (13), 7347-7354, 2020 | 17 | 2020 |
| Design, synthesis, and biological evaluation of 2, 4-dihydropyrano [2, 3-c] pyrazole derivatives as autotaxin inhibitors T Pantsar, P Singha, TJ Nevalainen, I Koshevoy, J Leppänen, A Poso, ... European Journal of Pharmaceutical Sciences 107, 97-111, 2017 | 17 | 2017 |
| Addressing a trapped high-energy water: design and synthesis of highly potent pyrimidoindole-based glycogen synthase kinase-3β inhibitors S Andreev, T Pantsar, R Tesch, N Kahlke, A El-Gokha, F Ansideri, ... Journal of Medicinal Chemistry 65 (2), 1283-1301, 2021 | 15 | 2021 |
| The autoinhibited state of MKK4: Phosphorylation, putative dimerization and R134W mutant studied by molecular dynamics simulations E Shevchenko, A Poso, T Pantsar Computational and Structural Biotechnology Journal 18, 2687-2698, 2020 | 13 | 2020 |
| Pyridinylimidazoles as GSK3β inhibitors: the impact of tautomerism on compound activity via water networks F Heider, T Pantsar, M Kudolo, F Ansideri, A De Simone, L Pruccoli, ... ACS Medicinal Chemistry Letters 10 (10), 1407-1414, 2019 | 13 | 2019 |
| Design, Synthesis and Biological Evaluation of 7-Chloro-9H-pyrimido[4,5-b]indole-based Glycogen Synthase Kinase-3β Inhibitors S Andreev, T Pantsar, F Ansideri, M Kudolo, M Forster, D Schollmeyer, ... Molecules 24 (12), 2331, 2019 | 12 | 2019 |
| Discovery and development of first-in-Class Ackr3/Cxcr7 superagonists for platelet degranulation modulation A Bayrak, F Mohr, K Kolb, M Szpakowska, E Shevchenko, V Dicenta, ... Journal of Medicinal Chemistry 65 (19), 13365-13384, 2022 | 11 | 2022 |
