Computer-aided design of RNA-targeted small molecules: A growing need in drug discovery J Manigrasso, M Marcia, M De Vivo Chem 7 (11), 2965-2988, 2021 | 49 | 2021 |
Visualizing group II intron dynamics between the first and second steps of splicing J Manigrasso, I Chillón, V Genna, P Vidossich, S Somarowthu, AM Pyle, ... Nature Communications 11 (1), 2837, 2020 | 43 | 2020 |
Design, Synthesis, In Vitro and In Vivo Characterization of Selective NKCC1 Inhibitors for the Treatment of Core Symptoms in Down Syndrome M Borgogno, A Savardi, J Manigrasso, A Turci, C Portioli, G Ottonello, ... Journal of medicinal chemistry 64 (14), 10203-10229, 2021 | 17 | 2021 |
Structure-based design of CDC42 effector interaction inhibitors for the treatment of cancer S Jahid, JA Ortega, LM Vuong, IM Acquistapace, SJ Hachey, JL Flesher, ... Cell reports 39 (1), 2022 | 13 | 2022 |
Controlled Trafficking of Multiple and Diverse Cations Prompts Nucleic Acid Hydrolysis J Manigrasso, M De Vivo, G Palermo ACS Catalysis 11 (14), 8786-8797, 2021 | 12 | 2021 |
Finding the Ion in the RNA-Stack: Can Computational Models Accurately Predict Key Functional Elements in Large Macromolecular Complexes? M Marcia, J Manigrasso, M De Vivo Journal of Chemical Information and Modeling 61 (6), 2511-2515, 2021 | 4 | 2021 |
Targeting the conserved active site of splicing machines with specific and selective small molecule modulators I Silvestri, J Manigrasso, A Andreani, N Brindani, C Mas, JB Reiser, ... Nature Communications 15 (1), 4980, 2024 | 2 | 2024 |
Computer-aided identification, synthesis, and biological evaluation of DNA polymerase η inhibitors for the treatment of cancer F Munafò, M Nigro, N Brindani, J Manigrasso, I Geronimo, G Ottonello, ... European Journal of Medicinal Chemistry, 115044, 2023 | 2 | 2023 |
Structure-based design of CDC42/RHOJ effector inhibitors for the treatment of cancer JL Flesher, S Jahid, JA Ortega, G La Sala, N Brindani, JM Arencibia, ... Cancer Research 80 (16_Supplement), 5324-5324, 2020 | 1 | 2020 |
On the Power and Challenges of Atomistic Molecular Dynamics to Investigate RNA Molecules S Muscat, G Martino, J Manigrasso, M Marcia, M De Vivo Journal of Chemical Theory and Computation, 2024 | | 2024 |
Molecular simulations and modeling of pharmaceutically relevant RNA-processing enzymes J Manigrasso alma, 2022 | | 2022 |
Metal Ions and Nucleic Acids’ Processing, Novel Insights from RNase-H1 Molecular Dynamics J Manigrasso, G Palermo, M De Vivo Biophysical Journal 120 (3), 36a, 2021 | | 2021 |