| Promoting transparency and reproducibility in enhanced molecular simulations M Bonomi, G Bussi, C Camilloni, GA Tribello, P Banáš, A Barducci, ... Nature methods 16 (8), 670-673, 2019 | 627 | 2019 |
| Automated docking screens: a feasibility study JJ Irwin, BK Shoichet, MM Mysinger, N Huang, F Colizzi, P Wassam, ... Journal of medicinal chemistry 52 (18), 5712-5720, 2009 | 305 | 2009 |
| Multi-target-directed coumarin derivatives: hAChE and BACE1 inhibitors as potential anti-Alzheimer compounds L Piazzi, A Cavalli, F Colizzi, F Belluti, M Bartolini, F Mancini, ... Bioorganic & Medicinal Chemistry Letters 18 (1), 423-426, 2008 | 297 | 2008 |
| Single-molecule pulling simulations can discern active from inactive enzyme inhibitors F Colizzi, R Perozzo, L Scapozza, M Recanatini, A Cavalli Journal of the American Chemical Society 132 (21), 7361-7371, 2010 | 203 | 2010 |
| Ligand-induced stabilization of the aptamer terminal helix in the add adenine riboswitch F Di Palma, F Colizzi, G Bussi Published in RNA, doi:10.1261/rna.040493.113 - arXiv preprint arXiv:1309.5717, 2013 | 51 | 2013 |
| RNA unwinding from reweighted pulling simulations F Colizzi, G Bussi Journal of the American Chemical Society 134 (11), 5173-9, 2012 | 42 | 2012 |
| Design, Synthesis, and Biological and Crystallographic Evaluation of Novel Inhibitors of Plasmodium falciparum Enoyl-ACP-reductase (PfFabI) F Belluti, R Perozzo, L Lauciello, F Colizzi, D Kostrewa, A Bisi, S Gobbi, ... Journal of medicinal chemistry 56 (19), 7516-7526, 2013 | 41 | 2013 |
| Exploring The Conformational Landscape Of Bioactive Small Molecules S Zivanovic, F Colizzi, D Moreno, A Hospital, R Soliva, M Orozco Journal of Chemical Theory and Computation, 2020 | 19 | 2020 |
| Atomic-level characterization of the chain-flipping mechanism in fatty-acids biosynthesis F Colizzi, M Masetti, M Recanatini, A Cavalli The Journal of Physical Chemistry Letters 7 (15), 2899-2904, 2016 | 18 | 2016 |
| Mechanical Features of Plasmodium falciparum Acyl Carrier Protein in the Delivery of Substrates F Colizzi, M Recanatini, A Cavalli Journal of Chemical Information and Modeling 48 (12), 2289-2293, 2008 | 18 | 2008 |
| Asymmetric base-pair opening drives helicase unwinding dynamics F Colizzi, C Perez-Gonzalez, R Fritzen, Y Levy, MF White, JC Penedo, ... Proceedings of the National Academy of Sciences 116 (45), 22471-22477, 2019 | 17 | 2019 |
| Plasticity in oligomerization, operator architecture, and DNA binding in the mode of action of a bacterial B12-based photoreceptor J Fernández-Zapata, R Pérez-Castaño, J Aranda, F Colizzi, MC Polanco, ... Journal of Biological Chemistry 293 (46), 17888-17905, 2018 | 15 | 2018 |
| Predicting the limit of intramolecular hydrogen bonding with classical molecular dynamics F Colizzi, A Hospital, S Zivanovic, M Orozco Angewandte Chemie International Edition 58 (12), 3759-3763, 2019 | 14 | 2019 |
| Bioactive Conformational Ensemble Server And Database. A Public Framework To Speed Up In Silico Drug Discovery S Zivanovic, G Bayarri, F Colizzi, D Moreno, JL Gelpi, R Soliva, A Hospital, ... Journal of Chemical Theory and Computation, 2020 | 13 | 2020 |
| Design, synthesis, and biological evaluation of substituted 2, 3-dihydro-1H-cyclopenta [b] quinolin-9-ylamine related compounds as fructose-1, 6-bisphosphatase inhibitors M Rosini, F Mancini, A Tarozzi, F Colizzi, V Andrisano, ML Bolognesi, ... Bioorganic & medicinal chemistry 14 (23), 7846-7853, 2006 | 12 | 2006 |
| pH-dependent capping interactions induce large-scale structural transitions in i-motifs I Serrano-Chacón, B Mir, L Cupellini, F Colizzi, M Orozco, N Escaja, ... Journal of the American Chemical Society 145 (6), 3696-3705, 2023 | 10 | 2023 |
| On the binding mode and molecular mechanism of enzymatic polyethylene terephthalate degradation P Falkenstein, Z Zhao, A Di Pede-Mattatelli, G Künze, M Sommer, ... ACS Catalysis 13 (10), 6919-6933, 2023 | 8 | 2023 |
| Probing Riboswitch Binding Sites with Molecular Docking, Focused Libraries, and In-line Probing Assays. F Colizzi, AM Lamontagne, DA Lafontaine, G Bussi Therapeutic Applications of Ribozymes and Riboswitches, 141, 2014 | 7 | 2014 |
| Probing allosteric regulations with coevolution-driven molecular simulations F Colizzi, M Orozco Science Advances 7 (37), eabj0786, 2021 | 6 | 2021 |
| DFFR: A New Method For High-Throughput Recalibration Of Automatic Force-Fields For Drugs D Moreno, S Zivanovic, F Colizzi, A Hospital, J Aranda, R Soliva, ... Journal of Chemical Theory and Computation, 2020 | 6 | 2020 |
