Browsing School of Biochemical and Engineering by Subject "Molecular dynamics"

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Computational identification of natural product inhibitors against EGFR double mutant (T790M/L858R) by integrating ADMET, machine learning, molecular docking and a dynamics approach

Agarwal, Subhash M; Nandekar, Prajwal; Saini, Ravi (Royal Society of Chemistry, 2022-06)

Double mutated epidermal growth factor receptor is a clinically important target for addressing drug resistance in lung cancer treatment. Therefore, discovering new inhibitors against the T790M/L858R (TMLR) resistant ...

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