Publications Peer reviewed articles (19) Fast, Accurate, and System-Specific Variable-Resolution Modeling of Proteins Author(s): Raffaele Fiorentini, Thomas Tarenzi, Raffaello Potestio Published in: JCIM, 2023, ISSN 1520-5142 Publisher: ACS A journey through mapping space: characterising the statistical and metric properties of reduced representations of macromolecules Author(s): Roberto Menichetti; Marco Giulini; Raffaello Potestio Published in: The European Physical Journal B, Issue 1, 2021, ISSN 1434-6028 Publisher: Springer Verlag DOI: 10.1140/epjb/s10051-021-00205-9 Density-functional-theory approach to the Hamiltonian adaptive resolution simulation method Author(s): Luis A. Baptista; Ravi C. Dutta; Mauricio Sevilla; Maziar Heidari; Raffaello Potestio; Kurt Kremer; Robinson Cortes-Huerto Published in: Journal of Physics: Condensed Matter, Issue 1, 2021, ISSN 0953-8984 Publisher: Institute of Physics Publishing DOI: 10.1088/1361-648x/abed1d An Information-Theory-Based Approach for Optimal Model Reduction of Biomolecules Author(s): Marco Giulini, Roberto Menichetti, M. Scott Shell, Raffaello Potestio Published in: Journal of Chemical Theory and Computation, Issue 16/11, 2020, Page(s) 6795-6813, ISSN 1549-9618 Publisher: American Chemical Society DOI: 10.1021/acs.jctc.0c00676 Information-theoretical measures identify accurate low-resolution representations of protein configurational space Author(s): Raffaello Potestio; Roberto Covino; Margherita Mele Published in: Soft Matter, 2022, ISSN 1744-683X Publisher: Royal Society of Chemistry DOI: 10.1039/d2sm00636g From System Modeling to System Analysis: The Impact of Resolution Level and Resolution Distribution in the Computer-Aided Investigation of Biomolecules. Author(s): Marco Giulini; Marco Giulini; Marta Rigoli; Marta Rigoli; Giovanni Mattiotti; Giovanni Mattiotti; Roberto Menichetti; Roberto Menichetti; Thomas Tarenzi; Thomas Tarenzi; Raffaele Fiorentini; Raffaele Fiorentini; Raffaello Potestio; Raffaello Potestio Published in: Frontiers in Molecular Biosciences, Vol 8 (2021), Issue 1, 2021, ISSN 2296-889X Publisher: Frontiers Media S.A. DOI: 10.3389/fmolb.2021.676976 Structural Basis of Mutation-Dependent p53 Tetramerization Deficiency Author(s): Marta Rigoli, Giovanni Spagnolli, Giulia Lorengo, Paola Monti, Raffaello Potestio, Emiliano Biasini, Alberto Inga Published in: International Journal of Molecular Sciences, 2022, ISSN 1422-0067 Publisher: Multidisciplinary Digital Publishing Institute (MDPI) DOI: 10.3390/ijms23147960 A Deep Graph Network-Enhanced Sampling Approach to Efficiently Explore the Space of Reduced Representations of Proteins. Author(s): Federico Errica; Marco Giulini; Marco Giulini; Davide Bacciu; Roberto Menichetti; Roberto Menichetti; Alessio Micheli; Raffaello Potestio; Raffaello Potestio Published in: Frontiers in Molecular Biosciences, Vol 8 (2021), Issue 1, 2021, ISSN 2296-889X Publisher: Frontiers Media S.A. DOI: 10.3389/fmolb.2021.637396 Making sense of complex systems through resolution, relevance, and mapping entropy Author(s): Roi Holtzman, Marco Giulini, Raffaello Potestio Published in: PRE, 2022, ISSN 2470-0045 Publisher: APS A deep learning approach to the structural analysis of proteins Author(s): Marco Giulini, Raffaello Potestio Published in: Interface Focus, Issue 9/3, 2019, Page(s) 20190003, ISSN 2042-8898 Publisher: Royal Society Publishing DOI: 10.1098/rsfs.2019.0003 Optimal Coarse-Grained Site Selection in Elastic Network Models of Biomolecules Author(s): Patrick Diggins, Changjiang Liu, Markus Deserno, Raffaello Potestio Published in: Journal of Chemical Theory and Computation, Issue 15/1, 2018, Page(s) 648-664, ISSN 1549-9618 Publisher: American Chemical Society DOI: 10.1021/acs.jctc.8b00654 Open-Boundary Molecular Mechanics/Coarse-Grained Framework for Simulations of Low-Resolution G-Protein-Coupled Receptor–Ligand Complexes Author(s): Thomas Tarenzi, Vania Calandrini, Raffaello Potestio, Paolo Carloni Published in: Journal of Chemical Theory and Computation, Issue 15/3, 2019, Page(s) 2101-2109, ISSN 1549-9618 Publisher: American Chemical Society DOI: 10.1021/acs.jctc.9b00040 Envisioning data sharing for the biocomputing community Author(s): Enrico Riccardi, Sergio Pantano, Raffaello Potestio Published in: Interface Focus, Issue 9/3, 2019, Page(s) 20190005, ISSN 2042-8898 Publisher: Royal Society Publishing DOI: 10.1098/rsfs.2019.0005 Multi-resolution simulations of intracellular processes Author(s): Radek Erban, Sarah Harris, Raffaello Potestio Published in: Interface Focus, Issue 9/3, 2019, Page(s) 20190028, ISSN 2042-8898 Publisher: Royal Society Publishing DOI: 10.1098/rsfs.2019.0028 Open-boundary Hamiltonian adaptive resolution. From grand canonical to non-equilibrium molecular dynamics simulations Author(s): Maziar Heidari, Kurt Kremer, Ramin Golestanian, Raffaello Potestio, Robinson Cortes-Huerto Published in: The Journal of Chemical Physics, Issue 152/19, 2020, Page(s) 194104, ISSN 0021-9606 Publisher: American Institute of Physics DOI: 10.1063/1.5143268 Ligand‐protein interactions in lysozyme investigated through a dual‐resolution model Author(s): Raffaele Fiorentini, Kurt Kremer, Raffaello Potestio Published in: Proteins: Structure, Function, and Bioinformatics, 2020, ISSN 0887-3585 Publisher: Wiley-Liss Inc DOI: 10.1002/prot.25954 Membrane binding of pore-forming γ-hemolysin components studied at different lipid compositions Author(s): Thomas Tarenzi, Gianluca Lattanzi, Raffaello Potestio Published in: Biochimica et Biophysica Acta (BBA) - Biomembranes, 2022, ISSN 0005-2736 Publisher: Elsevier BV DOI: 10.1016/j.bbamem.2022.183970 Communication pathways bridge local and global conformations in an IgG4 antibody. Author(s): Thomas Tarenzi; Marta Rigoli; Raffaello Potestio Published in: Scientific Reports, Vol 11, Iss 1, Pp 1-12 (2021), Issue 1, 2021, ISSN 2045-2322 Publisher: Nature Publishing Group DOI: 10.1038/s41598-021-02323-x In Search of a Dynamical Vocabulary: A Pipeline to Construct a Basis of Shared Traits in Large-Scale Motions of Proteins Author(s): Thomas Tarenzi, Marta Rigoli, Giovanni Mattiotti, Raffaello Potestio Published in: Applied Sciences, 2022, ISSN 2076-3417 Publisher: MDPI DOI: 10.3390/app12147157 Other (2) An information theory-based approach for optimal model reduction of biomolecules Author(s): Giulini, Marco; Menichetti, Roberto; Shell, M. Scott; Potestio, Raffaello Published in: Issue 1, 2020 Publisher: Cornell University Accelerating the identification of informative reduced representations of proteins with deep learning for graphs Author(s): Errica, Federico; Giulini, Marco; Bacciu, Davide; Menichetti, Roberto; Micheli, Alessio; Potestio, Raffaello Published in: Issue 1, 2020 Publisher: Cornell Univ. Searching for OpenAIRE data... There was an error trying to search data from OpenAIRE No results available
