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

Molecular docking is one of the most widely used computational approaches in the field of rational drug design, thanks to its favorable balance between the rapidity of execution and the accuracy of provided results. Although very efficient in exploring the conformational degrees of freedom available...

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Detalles Bibliográficos
Autores principales:	Menin, Silvia, Pavan, Matteo, Salmaso, Veronica, Sturlese, Mattia, Moro, Stefano
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2023
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9968212/ https://www.ncbi.nlm.nih.gov/pubmed/36835004 http://dx.doi.org/10.3390/ijms24043596

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