Leveraging nonstructural data to predict structures and affinities of protein–ligand complexes

Over the past five decades, tremendous effort has been devoted to computational methods for predicting properties of ligands—i.e., molecules that bind macromolecular targets. Such methods, which are critical to rational drug design, fall into two categories: physics-based methods, which directly mod...

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Detalles Bibliográficos
Autores principales: Paggi, Joseph M., Belk, Julia A., Hollingsworth, Scott A., Villanueva, Nicolas, Powers, Alexander S., Clark, Mary J., Chemparathy, Augustine G., Tynan, Jonathan E., Lau, Thomas K., Sunahara, Roger K., Dror, Ron O.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: National Academy of Sciences 2021
Materias:
Biological Sciences
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8713799/
https://www.ncbi.nlm.nih.gov/pubmed/34921117
http://dx.doi.org/10.1073/pnas.2112621118

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8713799/
https://www.ncbi.nlm.nih.gov/pubmed/34921117
http://dx.doi.org/10.1073/pnas.2112621118

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