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Virtual screening, XGBoost based QSAR modelling, Molecular Docking and Molecular Dynamics Simulation approach to discover a new inhibitor targeting ErbB1 Protein

2024-06-04

Abstract excerpt

<title>Abstract</title> <p>ErbB1 is a protein found on certain types of human cells that binds to a substance called epidermal growth factor (EGFR). The ErbB1 protein is involved in cell signalling pathways that control cell division, proliferation, and survival. Sometimes, mutations in the EGFR gene cause ErbB1 proteins to be made in higher-than-normal amounts on some types of cancer cells. The aim of this study...

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Literature Corpus work
33e66635-b0e4-55fa-b327-69be1a2481ab
DOI
10.21203/rs.3.rs-4477079/v1
Open publication

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Virtual screening, XGBoost based QSAR modelling, Molecular Docking and Molecular Dynamics Simulation approach to discover a new inhibitor targeting ErbB1 ProteinDOI 10.21203/rs.3.rs-4477079/v1
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