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Article

Bringing Structural Implications and Deep Learning-Based Drug Identification for KRAS Mutants.

Journal of chemical information and modeling - 22 Feb 2021

Mehmood Aamir, Kaushik Aman Chandra, Wang Qiankun, Li Cheng-Dong, Wei Dong-Qing

Abstract excerpt

Colorectal cancer is considered one of the leading causes of death that is linked with the Kirsten Rat Sarcoma (KRAS) harboring codons 13 and 61 mutations. The objective for this study is to search for clinically important codon 61 mutations and analyze how they affect the protein structural dynamics. Additionally, a deep-learning approach is used to carry out a similarity search for potential compounds that...

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PMID: 33513018
DOI: 10.1021/acs.jcim.0c00488

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