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
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
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 nucleoside analogue T1106
Cell Reports
Article Journal
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
Article Journal
2022
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
Article Journal
2022
Savardi A., Malizia A.P., De Vivo M., Cancedda L., Borgogno M.
Preclinical development of the NKCC1 inhibitor ARN23746 for the treatment of neurodevelopmental disorders
ACS Pharmacology & Translational Science
Article in Press 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)
Article Journal
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
2021
Portioli C., Ruiz Munevar M.J., De Vivo M., Cancedda L.
Cation-coupled chloride cotransporters: chemical insights and disease implications
Trends in Chemistry, vol. 3, (no. 10), pp. 832-849
2021
Geronimo I., Vidossich P., Donati E., De Vivo M.
Computational investigations of polymerase enzymes: Structure, function, inhibition, and biotechnology
Wiley Interdisciplinary Reviews: Computational Molecular Science, vol. 11, (no. 6)

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