| NNP/MM: accelerating molecular dynamics simulations with machine learning potentials and molecular mechanics R Galvelis, A Varela-Rial, S Doerr, R Fino, P Eastman, TE Markland, ... Journal of chemical information and modeling 63 (18), 5701-5708, 2023 | 25 | 2023 |
| Structure–Activity Relationship in Pyrazolo[4,3-c]pyridines, First Inhibitors of PEX14–PEX5 Protein–Protein Interaction with Trypanocidal Activity M Dawidowski, VC Kalel, V Napolitano, R Fino, K Schorpp, ... Journal of medicinal chemistry 63 (2), 847-879, 2019 | 23 | 2019 |
| Yada: a novel tool for molecular docking calculations. S Piotto, L Di Biasi, R Fino, R Parisi, L Sessa, S Concilio Journal of Computer-Aided Molecular Design 30 (9), 753–759, 2016 | 20 | 2016 |
| Structure and molecular recognition mechanism of IMP-13 metallo-β-lactamase CA Softley, KM Zak, MJ Bostock, R Fino, RX Zhou, M Kolonko, ... Antimicrobial agents and chemotherapy 64 (6), 10.1128/aac. 00123-20, 2020 | 17 | 2020 |
| Introducing the CSP Analyzer: A novel Machine Learning-based application for automated analysis of two-dimensional NMR spectra in NMR fragment-based screening R Fino, R Byrne, CA Softley, M Sattler, G Schneider, GM Popowicz Computational and structural biotechnology journal 18, 603-611, 2020 | 14 | 2020 |
| Characterization of SARS-CoV-2 replication complex elongation and proofreading activity AN Jones, A Mourão, A Czarna, A Matsuda, R Fino, K Pyrc, M Sattler, ... Scientific Reports 12 (1), 2045-2322, 2022 | 13 | 2022 |
| Water envelope has a critical impact on the design of protein–protein interaction inhibitors EL Ratkova, M Dawidowski, V Napolitano, G Dubin, R Fino, MS Ostertag, ... Chemical Communications 56 (31), 4360-4363, 2020 | 10 | 2020 |
| Novel algorithm for efficient distribution of molecular docking calculations L Di Biasi, R Fino, R Parisi, L Sessa, G Cattaneo, A De Santis, P Iannelli, ... Advances in Artificial Life, Evolutionary Computation and Systems Chemistry …, 2016 | 7 | 2016 |
| PURA syndrome-causing mutations impair PUR-domain integrity and affect P-body association M Proske, R Janowski, S Bacher, HS Kang, T Monecke, T Koehler, ... Elife 13, RP93561, 2024 | 6 | 2024 |
| NNP/MM: Fast molecular dynamics simulations with machine learning potentials and molecular mechanics R Galvelis, A Varela-Rial, S Doerr, R Fino, P Eastman, TE Markland, ... arXiv preprint arXiv:2201.08110, 2022 | 5 | 2022 |
| Computer-aided design and synthesis of a new class of PEX14 inhibitors: substituted 2, 3, 4, 5-tetrahydrobenzo [F][1, 4] oxazepines as potential new trypanocidal agents R Fino, D Lenhart, VC Kalel, CA Softley, V Napolitano, R Byrne, ... Journal of Chemical Information and Modeling 61 (10), 5256-5268, 2021 | 5 | 2021 |
| Development of novel PEX5-PEX14 protein-protein interaction (PPI) inhibitors based on an oxopiperazine template Monika Marciniak, Piotr Mróz, Valeria Napolitano, Vishal C. Kalel, Roberto ... European Journal of Medicinal Chemistry, 2023 | 4 | 2023 |
| Combining Computer-Aided Drug Design, NMR-Fragment based Drug Discovery and Medicinal Chemistry in Early-Stage Drug Development R Fino Technische Universität München, 2021 | | 2021 |
| Glycosomal protein import: a new target against trypanosomiasis V Napolitano, R Fino, C Softley, M Marciniak, VC Kalel, P Mroz, JJ Olmos, ... FEBS OPEN BIO 9, 426-427, 2019 | | 2019 |
Michael SattlerProfessor, Technical University of Munich & Helmholtz Center MunichEmail verificata su helmholtz-muenchen.de
