In Silico Prediction of the Dissociation Rate Constants of Small Chemical Ligands by 3D-Grid-Based VolSurf Method

Accumulated evidence suggests that binding kinetic properties—especially dissociation rate constant or drug-target residence time—are crucial factors affecting drug potency. However, quantitative prediction of kinetic properties has always been a challenging task in drug discovery. In this study, th...

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Detalles Bibliográficos
Autores principales: Huang, Shuheng, Chen, Linxin, Mei, Hu, Zhang, Duo, Shi, Tingting, Kuang, Zuyin, Heng, Yu, Xu, Lei, Pan, Xianchao
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2020
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7177943/
https://www.ncbi.nlm.nih.gov/pubmed/32252223
http://dx.doi.org/10.3390/ijms21072456

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7177943/
https://www.ncbi.nlm.nih.gov/pubmed/32252223
http://dx.doi.org/10.3390/ijms21072456

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