Vittorio Limongelli
http://usi.to/kjy
Pubblicazioni
Articolo pubblicato in rivista scientifica (14)
- D’Amore V. M., Conflitti P., Marinelli L., Limongelli V. (2024) Minute-timescale free-energy calculations reveal a pseudo-active state in the adenosine A2A receptor activation mechanism, Chem, 10 (12)
- Zantza I., Pyrris Y., Raniolo S., Papadaki G. F., Lambrinidis G., Limongelli V., Diallinas G., Mikros E. (2023) Uracil/H+ symport by FurE refines aspects of the rocking-bundle mechanism of APC-type transporters, Journal of molecular biology, 435 (19)
- Heydari S., Raniolo S., Livi L., Limongelli V. (2023) Transferring chemical and energetic knowledge between molecular systems with machine learning, Communications chemistry, 6 (13)
- Aureli S., Cardenas V. B., Raniolo S., Limongelli V. (2023) Conformational plasticity and allosteric communication networks explain Shelterin protein TPP1 binding to human telomerase, Communications chemistry, 6 (242)
- Finamore C., Festa C., Fiorillo B., Di Leva F. S., Roselli R., Marchianò S., Biagioli M., Spinelli L., Fiorucci S., Limongelli V., Zampella A., De Marino S. (2023) Expanding the library of 1,2,4-oxadiazole derivatives. Discovery of new farnesoid X receptor (FXR) antagonists/pregnane X receptor (PXR) agonists, Molecules, 28 (6)
- Fiorillo B., Roselli R., Finamore C., Biagioli M., Di Giorgio C., Bordoni M., Conflitti P., Marchianò S., Bellini R., Rapacciuolo P., Cassiano C., Limongelli V., Sepe V., Catalanotti B., Fiorucci S., Zampella A. (2023) Discovery of a novel class of dual GPBAR1 agonists–RORγt inverse agonists for the treatment of IL-17-mediated disorders, ACS Omega, 8 (6)
- Conflitti P., Raniolo S., Limongelli V. (2023) Perspectives on ligand/protein binding kinetics simulations. Force fields, machine learning, sampling, and user-friendliness, Journal of chemical theory and computation, 19 (18)
- Di Martino D., Conflitti P., Motta S., Limongelli V. (2023) Structural basis of dimerization of chemokine receptors CCR5 and CXCR4, Nature communications, 14 (6439)
- Fiorucci S., Rapacciuolo P., Fiorillo B., Roselli R., Marchianò S., Di Giorgio C., Bordoni M., Bellini R., Cassiano C., Conflitti P., Catalanotti B., Limongelli V., Sepe V., Biagioli M., Zampella A. (2022) Discovery of a potent and orally active dual GPBAR1/CysLT1R modulator for the treatment of metabolic fatty liver disease, Frontiers in pharmacology, 13
- Di Lorenzo G., Iavarone F., Maddaluno M., Plata-Gómez A. B., Aureli S., Quezada Meza C. P., Cinque L., Palma A., Reggio A., Cirillo C., Sacco F., Stolz A., Napolitano G., Marin O., Pinna L. A., Ruzzene M., Limongelli V., Efeyan A., Grumati P., Settembre C. (2022) Phosphorylation of FAM134C by CK2 controls starvation-induced ER-phagy, Science advances, 8 (35)
- Fiorillo B., Marchianò S., Moraca F., Sepe V., Carino A., Rapacciuolo P., Biagioli M., Limongelli V., Zampella A., Catalanotti B., Fiorucci S. (2021) Discovery of bile acid derivatives as potent ACE2 activators by virtual screening and essential dynamics, Journal of chemical information and modeling, 62 (1)
- Fiorillo B., Sepe V., Conflitti P., Roselli R., Biagioli M., Marchianò S., De Luca P., Baronissi G., Rapacciuolo P., Cassiano C., Catalanotti B., Zampella A., Limongelli V., Fiorucci S. (2021) Structural basis for developing multitarget compounds acting on Cysteinyl Leukotriene Receptor 1 and G-Protein coupled Bile Acid Receptor 1, Journal of Medicinal Chemistry, 64 (22)
- Raniolo S., Limongelli V. (2021) Improving small-molecule force field parameters in ligand binding studies, Frontiers in molecular biosciences, 8
- De Felice A., Aureli S., Limongelli V. (2021) Drug repurposing on G protein-coupled receptors using a computational profiling approach, Frontiers in molecular biosciences, 8
Preprint (1)
- Zantza I., Papadaki G. F., Raniolo S., Pyrris Y., Lambrinidis G., Limongelli V., Diallinas G., Mikros E. (2022) Uracil/H+ symport by the FurE transporter challenges the rocking-bundle mechanism of transport in APC transporters
