Relative Binding Affinity Prediction of Charge-Changing Sequence Mutations with FEP in Protein–Protein Interfaces

Building on the substantial progress that has been made in using free energy perturbation (FEP) methods to predict the relative binding affinities of small molecule ligands to proteins, we have previously shown that results of similar quality can be obtained in predicting the effect of mutations on...

Descripción completa

Detalles Bibliográficos
Autores principales: Clark, Anthony J., Negron, Christopher, Hauser, Kevin, Sun, Mengzhen, Wang, Lingle, Abel, Robert, Friesner, Richard A.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Elsevier 2019
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6453258/
https://www.ncbi.nlm.nih.gov/pubmed/30776430
http://dx.doi.org/10.1016/j.jmb.2019.02.003

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6453258/
https://www.ncbi.nlm.nih.gov/pubmed/30776430
http://dx.doi.org/10.1016/j.jmb.2019.02.003

Ejemplares similares