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Journal of Molecular Modeling|December 11, 2023
A computational insight on the aromatic amino acids conjugation with [Cp*Rh(H2O)3]2+ by using the meta-dynamics/FMO3 approachRoberto Paciotti, Alessandro MarronePharmaceuticals (Basel, Switzerland)|March 28, 2024
A Comprehensive Computational Insight into the PD-L1 Binding to PD-1 and Small MoleculesMarialuigia Fantacuzzi, Roberto Paciotti, Mariangela AgamennoneProteins|October 28, 2018
An insight of early PrP-E200K aggregation by combined molecular dynamics/fragment molecular orbital approachesRoberto Paciotti, Loriano Storchi, Alessandro MarroneMolecules (Basel, Switzerland)|August 10, 2024
Combining the Fragment Molecular Orbital and GRID Approaches for the Prediction of Ligand-Metalloenzyme Binding Affinity: The Case Study of hCA II InhibitorsRoberto Paciotti, Nazzareno Re, Loriano StorchiJournal of Molecular Modeling|August 2, 2022
Homodimeric complexes of the 90-231 human prion: a multilayered computational study based on FMO/GRID-DRY approachRoberto Paciotti, Loriano Storchi, Alessandro MarroneProteins|May 29, 2015
Investigation of the molecular similarity in closely related protein systems: The PrP case studyLoriano Storchi, Roberto Paciotti, Nazzareno Re, et al.Journal of Computer-Aided Molecular Design|November 1, 2022
The FMO2 analysis of the ligand-receptor binding energy: the Biscarbene-Gold(I)/DNA G-Quadruplex case studyRoberto Paciotti, Cecilia Coletti, Alessandro Marrone, et al.Journal of Computer-Aided Molecular Design|June 10, 2021
Hampering the early aggregation of PrP-E200K protein by charge-based inhibitors: a computational studyMariangela Agamennone, Loriano Storchi, Alessandro Marrone, et al.Journal of Computer-Aided Molecular Design|March 19, 2020
Characterization of PD-L1 binding sites by a combined FMO/GRID-DRY approachRoberto Paciotti, Mariangela Agamennone, Cecilia Coletti, et al.Physical Chemistry Chemical Physics : PCCP|June 2, 2015
Serine O-sulfation probed by IRMPD spectroscopyRoberto Paciotti, Cecilia Coletti, Nazzareno Re, et al.Pageof 2