A comprehensive study of SARS-CoV-2 mfigain protease (M^pro) inhibitor-resistant mutants selected in a VSV-based system.

Authors: Costacurta, Francesco¹, Dodaro, Andrea², Bante, David¹, Schöppe, Helge³, Peng, Ju-Yi⁴, Sprenger, Bernhard⁵, He, Xi⁴, Moghadasi, Seyed Arad⁶, Egger, Lisa Maria⁷, Fleischmann, Jakob^8,9, Pavan, Matteo², Bassani, Davide², Menin, Silvia², Rauch, Stefanie¹, Krismer, Laura¹, Sauerwein, Anna¹, Heberle, Anne¹, Rabensteiner, Toni¹, Ho, Joses¹⁰, Harris, Reuben S.^11,12

Source: PLoS Pathogens; 9/11/2024, Vol. 20 Issue 9, p1-40, 40p

Qualitative Estimation of Protein—Ligand Complex Stability through Thermal Titration Molecular Dynamics Simulations

Authors: Pavan, Matteo, Menin, Silvia, Bassani, Davide, Sturlese, Mattia, Moro, Stefano

Source: JOURNAL OF CHEMICAL INFORMATION AND MODELING. 62(22):5715-5728

Availability: http://explore.bl.uk/primo_library/libweb/action/display.do?tabs=detailsTab&gathStatTab=true&ct=display&fn=search&doc=ETOCRN632699984&indx=1&recIds=ETOCRN632699984

Thermal Titration Molecular Dynamics: The Revenge of the Fragments.

Authors: Pavan, Matteo, Menin, Silvia, Dodaro, Andrea, Novello, Gianluca, Cavastracci Strascia, Chiara, Sturlese, Mattia, Salmaso, Veronica, Moro, Stefano

Source: Journal of Chemical Information & Modeling; 2/10/2025, Vol. 65 Issue 3, p1492-1513, 22p

Post-Docking Refinement of Peptide or Protein-RNA Complexes Using Thermal Titration Molecular Dynamics (TTMD): A Stability Insight.

Authors: Dodaro, Andrea, Novello, Gianluca, Menin, Silvia, Cavastracci Strascia, Chiara, Sturlese, Mattia, Salmaso, Veronica, Moro, Stefano

Source: Journal of Chemical Information & Modeling; 2/10/2025, Vol. 65 Issue 3, p1441-1452, 12p

A second life for the crystallographic structure of Berenil-dodecanucleotide complex: a computational revisitation thirty years after its publication.

Authors: Novello, Gianluca, Dodaro, Andrea, Menin, Silvia, Cavastracci Strascia, Chiara, Sturlese, Mattia, Salmaso, Veronica, Moro, Stefano

Source: Medicinal Chemistry Research; Nov2024, Vol. 33 Issue 11, p2101-2109, 9p

Thermal Titration Molecular Dynamics (TTMD): Not Your Usual Post-Docking Refinement.

Authors: Menin, Silvia¹ (AUTHOR), Pavan, Matteo¹ (AUTHOR), Salmaso, Veronica¹ (AUTHOR), Sturlese, Mattia¹ (AUTHOR), Moro, Stefano¹ (AUTHOR) stefano.moro@unipd.it

Source: International Journal of Molecular Sciences. Feb2023, Vol. 24 Issue 4, p3596. 22p.

Subject Terms: *MOLECULAR dynamics, *PYRUVATE dehydrogenase kinase, *PROTEIN kinase CK2, *DRUG design, *PROTEIN-ligand interactions, *CASEIN kinase, *PYRUVATE kinase

Proposta de fórmula vegetal para desodorante líquido. (Portuguese)

Alternate Title: Proposal for a herbal formula for liquid deodorant. (English)

Authors: Ferrari, Ariel Gustavo, Vicente, Letícia Libanio, Poloni, Marcela Aparecida, Barbisan, Juliana, Menin, Silvia Elisa Acedo, Tescarollo, Iara Lúcia

Source: InterfacEHS; 2015, Vol. 10 Issue 2, p124-135, 12p