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Article

Structure-based virtual screening and molecular dynamics simulations for detecting novel candidates for allosteric inhibition of EGFRT790M.

Journal of biomolecular structure & dynamics - 1 Jan 2024

Çoban Güneş

Abstract excerpt

Structure-based virtual screening (SBVS) was applied to predict lead compounds for the allosteric inhibition of epidermal growth factor receptor (EGFR) by screening the library of chemical compounds prepared from the e-molecules chemical database. The library of chemical compounds consisting of 133,083 ligands was composed by evaluating the chemical and physical properties of e-molecules chemicals. The prepared...

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PMID: 37029759
DOI: 10.1080/07391102.2023.2194425

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EGFR

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PubMed metadata and Literature Corpus relationships. Corpus snapshot updated 5 Sept 2026.

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