Author

G. Rossetti

Listed by name: these papers carry no ORCID for this author, so different people with the same name may be mixed together.

Biology Disciplines

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Biophysics· 3 Biochemistry· 1 Cancer Biology· 1 Physiology· 1

Signature Assays, Organisms & Methods

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Research Focus:drug response / drug discovery· 4 Organism:human· 3 Approach:mechanistic / dynamical model· 3 Research Focus:protein folding & dynamics· 3 Approach:deep learning· 2 Assay:protein structure· 2 Approach:statistical model· 2 Assay:ATAC-seq· 1

Frequent Co-Authors

P. Carloni· 4 shared S. Albani· 2 shared A. E. Dorn· 1 shared A. Hanke· 1 shared A. Lampert· 1 shared A. Maurer· 1 shared A. Piergentili· 1 shared A. R. Beccari· 1 shared

Activity by Year

2020-2024 · peak 2/yr

Co-Author Collaboration Network

10 top collaborators · 13 mutual co-author links

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4 shared papersBiophysics

P. Carloni

Mutual co-authors in cluster

Author profile →

6 papers

Recent·Most cited

Depletion of membrane cholesterol modifies structure, dynamic and activation of Nav1.7

S. Albani, V. S. B. Eswaran, A. Piergentili, P. C. T. d. Souza, A. Lampert, G. Rossetti

This study shows that cholesterol depletion alters Nav1.7 structure and function, affecting its gating and drug response, with implications for pain management.

bioRxiv · Feb 21, 2024Physiology

Physical Chemistry of Drug Permeation through the Cell Membrane with Atomistic Detail

M. Paulikat, G. Piccini, E. Ippoliti, G. Rossetti, F. Arnesano, P. Carloni

The paper uses molecular dynamics simulations to study drug permeation through cell membranes, finding that the neutral form of chloroquine is the only permeating species.

bioRxiv · Jul 24, 2023 · PreprintBiophysics

Impact of Phosphorylation on the Physiological Form of Human alpha-Synuclein in Aqueous Solution

E. de Bruyn, A. E. Dorn, G. Rossetti, C. Fernandez, T. F. Outeiro, J. B. Schulz, P. Carloni

This study uses molecular simulations to investigate how phosphorylation at serine 129 affects the structure of human alpha-synuclein in aqueous solution, finding no significant impact on its conformational ensemble.

bioRxiv · Mar 10, 2023Biophysics

An Enhanced Sampling Approach to the Induced Fit Docking Problem in Protein-Ligand Binding: the case of mono-ADP-ribosylation hydrolases inhibitors

Q. Zhao, R. Capelli, P. Carloni, B. Luescher, J. Li, G. Rossetti

The paper introduces an enhanced sampling method for protein-ligand binding with induced fit, validated on ADPr and MacroD1/MacroD2 complexes, showing accurate free energy predictions and structural changes.

bioRxiv · May 8, 2021Biochemistry

A blueprint for high affinity SARS-CoV-2 Mpro inhibitors from activity-based compound library screening guided by analysis of protein dynamics

J. Gossen, S. Albani, A. Hanke, B. P. Joseph, C. Bergh, M. Kuzikov, E. Costanza, C. Manelfi, P. Storici, P. Gribbon, A. R. Beccari, C. Talarico, F. Spyrakis, E. Lindahl, A. Zaliani, , G. Rossetti

The paper identifies a blueprint for high affinity SARS-CoV-2 Mpro inhibitors by analyzing protein dynamics and redefining druggability through virtual screening and pharmacophore modeling.

bioRxiv · Dec 14, 2020Biophysics

Nintedanib Targets KIT D816V Neoplastic Cells Derived from Induced Pluripotent Stem cells of Systemic Mastocytosis

M. A. Szymanski de Toledo, M. Gatz, S. Sontag, K. V. Gleixer, G. Eisenwort, K. Feldberg, F. Kluge, R. Guareschi, G. Rossetti, A. S. Sechi, O. Dufva, S. M. Mustjoki, A. Maurer, H. M. Schueler, R. Goetzke, , M. Zenke

This study identifies nintedanib as a novel KIT D816V inhibitor effective against patient-derived neoplastic mast cells in systemic mastocytosis.

bioRxiv · May 6, 2020Cancer Biology