| Protein–ligand binding with the coarse-grained Martini model PCT Souza, S Thallmair, P Conflitti, C Ramírez-Palacios, R Alessandri, ... Nature communications 11 (1), 3714, 2020 | 173 | 2020 |
| Enhanced EGFR targeting activity of plasmonic nanostructures with engineered GE11 peptide F Biscaglia, S Rajendran, P Conflitti, C Benna, R Sommaggio, L Litti, ... Advanced healthcare materials 6 (23), 1700596, 2017 | 53 | 2017 |
| Aggregation propensity of Aib homo‐peptides of different length: an insight from molecular dynamics simulations G Bocchinfuso, P Conflitti, S Raniolo, M Caruso, C Mazzuca, E Gatto, ... Journal of Peptide Science 20 (7), 494-507, 2014 | 18 | 2014 |
| Molecular dynamics simulations of the host defense peptide temporin L and its Q3K derivative: an atomic level view from aggregation in water to bilayer perturbation A Farrotti, P Conflitti, S Srivastava, JK Ghosh, A Palleschi, L Stella, ... Molecules 22 (7), 1235, 2017 | 16 | 2017 |
| Ubiquitylation of BBSome is required for ciliary assembly and signaling F Chiuso, R Delle Donne, G Giamundo, L Rinaldi, D Borzacchiello, ... EMBO reports 24 (4), e55571, 2023 | 10 | 2023 |
| The influence of pH on the scleroglucan and scleroglucan/borax systems C Mazzuca, G Bocchinfuso, A Palleschi, P Conflitti, M Grassi, C Di Meo, ... Molecules 22 (3), 435, 2017 | 10 | 2017 |
| Structural basis of dimerization of chemokine receptors CCR5 and CXCR4 D Di Marino, P Conflitti, S Motta, V Limongelli Nature communications 14 (1), 6439, 2023 | 9 | 2023 |
| Relative stability of the Scleroglucan triple-Helix and single strand: An insight from computational and experimental techniques G Bocchinfuso, C Mazzuca, P Conflitti, D Cori, T Coviello, A Palleschi Zeitschrift für Physikalische Chemie 230 (9), 1395-1410, 2016 | 9 | 2016 |
| Perspectives on Ligand/Protein Binding Kinetics Simulations: Force Fields, Machine Learning, Sampling, and User-Friendliness P Conflitti, S Raniolo, V Limongelli Journal of chemical theory and computation 19 (18), 6047-6061, 2023 | 8 | 2023 |
| Identification of cysteinyl-leukotriene-receptor 1 antagonists as ligands for the bile acid receptor GPBAR1 M Biagioli, A Carino, S Marchianò, R Roselli, C Di Giorgio, M Bordoni, ... Biochemical pharmacology 177, 113987, 2020 | 8 | 2020 |
| Discovery of a novel class of dual GPBAR1 agonists–RORγt inverse agonists for the treatment of IL-17-mediated disorders B Fiorillo, R Roselli, C Finamore, M Biagioli, C Di Giorgio, M Bordoni, ... ACS omega 8 (6), 5983-5994, 2023 | 7 | 2023 |
| Behavior of a peptide during a Langmuir–Blodgett compression isotherm: A molecular dynamics simulation study B Di Napoli, C Mazzuca, P Conflitti, M Venanzi, A Palleschi The Journal of Physical Chemistry C 122 (1), 515-521, 2018 | 7 | 2018 |
| Discovery of a Potent and Orally Active Dual GPBAR1/CysLT1R Modulator for the Treatment of Metabolic Fatty Liver Disease S Fiorucci, P Rapacciuolo, B Fiorillo, R Roselli, S Marchianò, C Di Giorgio, ... Frontiers in pharmacology 13, 858137, 2022 | 6 | 2022 |
| Aggregation propensity of therapeutic fibrin-homing pentapeptides: insights from experiments and molecular dynamics simulations D Zanuy, A Puiggalí-Jou, P Conflitti, G Bocchinfuso, A Palleschi, ... Soft Matter 16 (44), 10169-10179, 2020 | 6 | 2020 |
| Structural basis for developing multitarget compounds acting on cysteinyl leukotriene receptor 1 and G-protein-coupled bile acid receptor 1 B Fiorillo, V Sepe, P Conflitti, R Roselli, M Biagioli, S Marchianò, ... Journal of Medicinal Chemistry 64 (22), 16512-16529, 2021 | 5 | 2021 |
| Minute-timescale free-energy calculations reveal a pseudo-active state in the adenosine A2A receptor activation mechanism VM D’Amore, P Conflitti, L Marinelli, V Limongelli Chem, 2024 | | 2024 |
| Correction to “Discovery of a Novel Class of Dual GPBAR1 Agonists–RORγt Inverse Agonists for the Treatment of IL-17-Mediated Disorders” B Fiorillo, R Roselli, C Finamore, M Biagioli, C di Giorgio, M Bordoni, ... ACS omega 8 (47), 45163-45163, 2023 | | 2023 |
| Minute-timescale simulations of G Protein Coupled Receptor A2A activation mechanism reveal a receptor pseudo-active state VM D’Amore, P Conflitti, L Marinelli, V Limongelli bioRxiv, 2023.09. 14.557711, 2023 | | 2023 |
| A molecular dynamic simulation study on the self-association propensity of AIB homo-peptides of different main-chain length G Bocchinfuso, P Conflitti, C Mazzuca, E Gatto, F Fernando, C Toniolo, ... JOURNAL OF PEPTIDE SCIENCE 20 (S1), S194-S194, 2014 | | 2014 |
