IIT Publications Search

Publications
2023
Munafo F., Nigro M., Brindani N., Manigrasso J., Geronimo I., Ottonello G., Armirotti A., De Vivo M.
Computer-aided identification, synthesis, and biological evaluation of DNA polymerase η inhibitors for the treatment of cancer
European Journal of Medicinal Chemistry, vol. 248
Article Journal
2023
Brindani N., Munafo F., Menichetti A., Donati E., Nigro M., Ottonello G., Armirotti A., De Vivo M.
Design, synthesis, docking, and biochemical characterization of non-nucleoside SARS-CoV-2 RdRp inhibitors
Bioorganic and Medicinal Chemistry, vol. 80
Article Journal
2023
Kouba T., Dubankova A., Drncova P., Donati E., Vidossich P., Speranzini V., Pflug A., Huchting J., Meier C., De Vivo M., Cusack S.
Direct observation of backtracking by influenza A and B polymerases upon consecutive incorporation of the nucleoside analog T1106
Cell Reports, vol. 42, (no. 1)
Article Journal
2023
Savardi A., Patricelli Malizia A., De Vivo M., Cancedda L., Borgogno M.
Preclinical Development of the Na-K-2Cl Co-transporter-1 (NKCC1) Inhibitor ARN23746 for the Treatment of Neurodevelopmental Disorders
ACS Pharmacology and Translational Science, vol. 6, (no. 1), pp. 1-11
Article Journal
2022
Geronimo I., De Vivo M.
Alchemical Free-Energy Calculations of Watson-Crick and Hoogsteen Base Pairing Interconversion in DNA
Journal of Chemical Theory and Computation, vol. 18, (no. 11), pp. 6966-6973
2022
La Serra M.A., Vidossich P., Acquistapace I., Ganesan A.K., De Vivo M.
Alchemical Free Energy Calculations to Investigate Protein-Protein Interactions: the Case of the CDC42/PAK1 Complex
Journal of Chemical Information and Modeling, vol. 62, (no. 12), pp. 3023-3033
2022
Colini Baldeschi A., Zattoni M., Vanni S., Nikolic L., Ferracin C., La Sala G., Summa M., Bertorelli R., Bertozzi S.M., Giachin G., Carloni P., Bolognesi M.L., De Vivo M., Legname G.
Innovative Non-PrP-Targeted Drug Strategy Designed to Enhance Prion Clearance
Journal of Medicinal Chemistry, vol. 65, (no. 13), pp. 8998-9010
2022
De Vivo M.
JCTC: In Pursuit of Excellence
Journal of Chemical Theory and Computation
Editorial Journal
2022
Franco-Ulloa S., Riccardi L., Rimembrana F., Grottin E., Pini M., De Vivo M.
NanoModeler CG: A Tool for Modeling and Engineering Functional Nanoparticles at a Coarse-Grained Resolution
Journal of Chemical Theory and Computation
Article Journal
2022
Geronimo I., Vidossich P., De Vivo M.
On the Role of Molecular Conformation of the 8-Oxoguanine Lesion in Damaged DNA Processing by Polymerases
Journal of Chemical Information and Modeling
Article Journal
2022
Munafo F., Donati E., Brindani N., Ottonello G., Armirotti A., De Vivo M.
Quercetin and luteolin are single-digit micromolar inhibitors of the SARS-CoV-2 RNA-dependent RNA polymerase
Scientific Reports, vol. 12, (no. 1)
2022
Zhao Y., Roy K., Vidossich P., Cancedda L., De Vivo M., Forbush B., Cao E.
Structural basis for inhibition of the Cation-chloride cotransporter NKCC1 by the diuretic drug bumetanide
Nature Communications, vol. 13, (no. 1)
2022
Jahid S., Ortega J.A., Vuong L.M., Acquistapace I.M., Hachey S.J., Flesher J.L., La Serra M.A., Brindani N., La Sala G., Manigrasso J., Arencibia J.M., Bertozzi S.M., Summa M., Bertorelli R., Armirotti A., Jin R., Liu Z., Chen C.-F., Edwards R., Hughes C.C.W., De Vivo M., Ganesan A.K.
Structure-based design of CDC42 effector interaction inhibitors for the treatment of cancer
Cell Reports, vol. 39, (no. 1)
2022
Zhao Y., Shen J., Wang Q., Ruiz Munevar M.J., Vidossich P., De Vivo M., Zhou M., Cao E.
Structure of the human cation-chloride cotransport KCC1 in an outward-open state
Proceedings of the National Academy of Sciences of the United States of America, vol. 119, (no. 27)
2021
Franco-Ulloa S., Guarnieri D., Riccardi L., Pompa P.P., De Vivo M.
Association Mechanism of Peptide-Coated Metal Nanoparticles with Model Membranes: A Coarse-Grained Study
Journal of Chemical Theory and Computation, vol. 17, (no. 7), pp. 4512-4523

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