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...

Deskribapen osoa

Gorde:
Xehetasun bibliografikoak
Argitaratua izan da:Comput Struct Biotechnol J
Egile Nagusiak: Wang, Debby D., Ou-Yang, Le, Xie, Haoran, Zhu, Mengxu, Yan, Hong
Formatua: Artigo
Hizkuntza:Inglês
Argitaratua: Research Network of Computational and Structural Biotechnology 2020
Gaiak:
Research Article
Sarrera elektronikoa: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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