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Bioinformatics (Oxford, England)|September 1, 2018
NanoShaper-VMD interface: computing and visualizing surfaces, pockets and channels in molecular systemsSergio Decherchi, Andrea Spitaleri, John Stone, et al.Communications in Computational Physics|April 1, 2014
Using DelPhi capabilities to mimic protein's conformational reorganization with amino acid specific dielectric constantsLin Wang, Zhe Zhang, Walter Rocchia, et al.The Journal of Chemical Physics|September 23, 2021
Charged dielectric spheres interacting in electrolytic solution: A linearized Poisson-Boltzmann equation modelSergii V Siryk, Artemi Bendandi, Alberto Diaspro, et al.Journal of Chemical Theory and Computation|December 14, 2016
Probing Hydration Patterns in Class-A GPCRs via Biased MD: The A2A ReceptorSyeda Rehana Zia, Roberto Gaspari, Sergio Decherchi, et al.Computational and Structural Biotechnology Journal|November 2, 2020
The role of histone tails in nucleosome stability: An electrostatic perspectiveArtemi Bendandi, Alessandro S Patelli, Alberto Diaspro, et al.Journal of Chemical Theory and Computation|October 15, 2021
Enhanced Molecular Dynamics Method to Efficiently Increase the Discrimination Capability of Computational Protein-Protein DockingNicola Scafuri, Miguel A Soler, Andrea Spitaleri, et al.Computational Biology and Chemistry|January 19, 2023
Replica-exchange optimization of antibody fragmentsMiguel A Soler, Nikola Minovski, Walter Rocchia, et al.Chemmedchem|January 29, 2008
Modeling HERG and its interactions with drugs: recent advances in light of current potassium channel simulationsMaurizio Recanatini, Andrea Cavalli, Matteo MasettiNature Communications|January 28, 2015
The ligand binding mechanism to purine nucleoside phosphorylase elucidated via molecular dynamics and machine learningSergio Decherchi, Anna Berteotti, Giovanni Bottegoni, et al.Plos One|April 17, 2014
Protein dynamics of the HIF-2α PAS-B domain upon heterodimerization and ligand bindingMatteo Masetti, Federico Falchi, Maurizio RecanatiniPageof 13