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3DDPDs: describing protein dynamics for proteochemometric bioactivity prediction. A case for (mutant) G protein-coupled receptors

Proteochemometric (PCM) modelling is a powerful computational drug discovery tool used in bioactivity prediction of potential drug candidates relying on both chemical and protein information. In PCM features are computed to describe small molecules and proteins, which directly impact the quality of...

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Detalles Bibliográficos
Autores principales:	Gorostiola González, Marina, van den Broek, Remco L., Braun, Thomas G. M., Chatzopoulou, Magdalini, Jespers, Willem, IJzerman, Adriaan P., Heitman, Laura H., van Westen, Gerard J. P.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Springer International Publishing 2023
Materias:	Research
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10463931/ https://www.ncbi.nlm.nih.gov/pubmed/37641107 http://dx.doi.org/10.1186/s13321-023-00745-5

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