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

RNA–protein interactions drive and regulate fundamental cellular processes like transcription and translation. Despite being still limited, the growing body of structural data significantly contributes to the characterization of these interactions. However, RNA complexes involving proteins or peptid...

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Bibliographic Details
Main Author:	Andrea Dodaro (17379409) (author)
Other Authors:	Gianluca Novello (20572099) (author), Silvia Menin (13010133) (author), Chiara Cavastracci Strascia (20572102) (author), Mattia Sturlese (832352) (author), Veronica Salmaso (2609254) (author), Stefano Moro (721559) (author)
Published:	2025
Subjects:	Biophysics Biochemistry Genetics Molecular Biology Developmental Biology Cancer Computational Biology Biological Sciences not elsewhere classified Chemical Sciences not elsewhere classified Physical Sciences not elsewhere classified Information Systems not elsewhere classified putative drug targets previously effectively applied always available due postdocking refining methods including molecular dynamics generate complexes relevant molecule docking poses structural determination challenges rna docking poses docking methods generated poses including analysis docking refinement peptide complexes widespread adoption study presents still limited scoring accuracy pharmaceutical purposes often hindered growing body first application findings showcase complex systems biopolymer entails applicability domain
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Post-Docking Refinement of Peptide or Protein-RNA Complexes Using Thermal Titration Molecular Dynamics (TTMD): A Stability Insight

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