Research output

PUBLICATIONS

T. Tarenzi, M. Rigoli and R. Potestio, Communication pathways bridge local and global conformations in an IgG4 antibody, Scientific Reports (2021)

2021 biorxiv preprint here

M. Giulini, M. Rigoli, G. Matiotti, R. Menichetti, T. Tarenzi, R. Fiorentini and R. Potestio, From system modelling to system analysis: the impact of resolution level and resolution distribution in the computer-aided investigation of biomolecules, Front. Mol. Biosci. (2021)

F. Errica, M. Giulini, D. Bacciu, R. Menichetti, A. Micheli and R. Potestio, A deep graph network-enhanced sampling approach to efficiently explore the space of reduced representations of proteins, Front. Mol. Biosci. (2021)

2020 arxiv preprint here

A. Baptista, R. Chandra Dutta, M. Sevilla, M. Heidari, R. Potestio, K. Kremer and R. Cortes-Huerto, Density-Functional-Theory Approach to the Hamiltonian Adaptive Resolution Simulation Method, Journal of Physics: Condensed Matter (2021)

M. Giulini, R. Menichetti, M. Scott Shell and R. Potestio, An information theory-based approach for optimal model reduction of biomolecules, J. Chem. Theor. Comput. (2020) [See Resources section for open access raw data]

R. Fiorentini, K. Kremer and R. Potestio, Ligand-protein interactions in lysozyme investigated through a dual-resolution model, Proteins: structure, function, and bioinformatics (2020) [See Resources section for open access raw data]

M. Heidari, K. Kremer, R. Golestanian, R. Potestio, and R. Cortes-Huerto, Open-Boundary Hamiltonian adaptive resolution. From grand canonical to non-equilibrium molecular dynamics simulations, J. Chem. Phys. (2020)

M. Giulini and R. Potestio, A deep learning approach to the structural analysis of proteins, Royal Society Interface Focus (2019) [See Resources section for open access raw data]

Link to online repository here.

E. Riccardi, S. Pantano and R. Potestio, Envisioning data sharing for the biocomputing community, Royal Society Interface Focus (2019)

Link to online repository here.

R. Erban, S. Harris and R. Potestio, Multi-resolution simulations of intracellular processes, Royal Society Interface Focus (2019)

Introduction to the Interface Focus theme issue Multi-resolution simulations of intracellular processes organised by Radek Erban, Sarah Harris and Raffaello Potestio

P. Diggins, C. Liu, M. Deserno, and R. Potestio, Optimal coarse-grained site selection in elastic network models of biomolecules, J. Chem. Theor. Comput. (2019)

Link to online repository here.

RESOURCES

Raw data for the manuscript Communication pathways bridge local and global conformations in an IgG4 antibody, Scientific Reports (2021)

LINK to the Zenodo/OpenAIRE repository

Raw data for the manuscript An information theory-based approach for optimal model reduction of biomolecules, J. Chem. Theor. Comput. (2020)

LINK to the Zenodo/OpenAIRE repository

Raw data for the manuscript Ligand-protein interactions in lysozyme investigated through a dual-resolution model, Proteins (2020)

LINK to the Zenodo / OpenAIRE repository

Raw data for the manuscript A deep learning approach to the structural analysis of proteins, Royal Society Interface Focus (2019)

LINK to the Zenodo / OpenAIRE repository

LINK to the GoogleDrive repository