Probing Origin of Binding Difference of inhibitors to MDM2 and MDMX by Polarizable Molecular Dynamics Simulation and QM/MM-GBSA Calculation

Binding abilities of current inhibitors to MDMX are weaker than to MDM2. Polarizable molecular dynamics simulations (MD) followed by Quantum mechanics/molecular mechanics generalized Born surface area (QM//MM-GBSA) calculations were performed to investigate the binding difference of inhibitors to MD...

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Detalles Bibliográficos
Autores principales: Chen, Jianzhong, Wang, Jinan, Zhang, Qinggang, Chen, Kaixian, Zhu, Weiliang
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group 2015
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4663504/
https://www.ncbi.nlm.nih.gov/pubmed/26616018
http://dx.doi.org/10.1038/srep17421

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4663504/
https://www.ncbi.nlm.nih.gov/pubmed/26616018
http://dx.doi.org/10.1038/srep17421

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