Qualitative Prediction of Ligand Dissociation Kinetics from Focal Adhesion Kinase Using Steered Molecular Dynamics

Most early-stage drug discovery projects focus on equilibrium binding affinity to the target alongside selectivity and other pharmaceutical properties. Since many approved drugs have nonequilibrium binding characteristics, there has been increasing interest in optimizing binding kinetics early in th...

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Detalles Bibliográficos
Autores principales: Spiriti, Justin, Wong, Chung F.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2021
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7909260/
https://www.ncbi.nlm.nih.gov/pubmed/33498237
http://dx.doi.org/10.3390/life11020074

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7909260/
https://www.ncbi.nlm.nih.gov/pubmed/33498237
http://dx.doi.org/10.3390/life11020074

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