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Predicting the impacts of mutations on protein-ligand binding affinity based on molecular dynamics simulations and machine learning methods

PURPOSE: Mutation-induced variation of protein-ligand binding affinity is the key to many genetic diseases and the emergence of drug resistance, and therefore predicting such mutation impacts is of great importance. In this work, we aim to predict the mutation impacts on protein-ligand binding affin...

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Detaylı Bibliyografya
Yayımlandı:Comput Struct Biotechnol J
Asıl Yazarlar: Wang, Debby D., Ou-Yang, Le, Xie, Haoran, Zhu, Mengxu, Yan, Hong
Materyal Türü: Artigo
Dil:Inglês
Baskı/Yayın Bilgisi: Research Network of Computational and Structural Biotechnology 2020
Konular:
Online Erişim:https://ncbi.nlm.nih.gov/pmc/articles/PMC7052406/
https://ncbi.nlm.nih.gov/pubmed/32153730
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.csbj.2020.02.007
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