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Article

Asp746 to glycine change may have a greater influence than Cys751 to serine change in accounting for ligand selectivity between EGFR and HER-2 at the ATP site.

Journal of computer-aided molecular design - 1 May 2005

Kamath Shantaram A, Buolamwini John K

Abstract excerpt

We have carried out up to 8.0 ns molecular dynamics simulation on the ATP-bound complexes of EGFR and HER-2 (homology model) receptor kinase domains to explore the possible consequences of amino acid residue changes in or close to the ATP site that might provide insights for selectivity of these kinases towards ATP site inhibitors. The simulation results show the formation of a channel under Thr766 following the...

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Share to Adenosine Triphosphate
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Methodology Data sources Editorial policy Privacy About Contact Helena Bioinformatics

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Source

Identifiers

PMID: 16184431
DOI: 10.1007/s10822-005-5083-5

Genes

EGFR

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PubMed metadata and Literature Corpus relationships. Corpus snapshot updated 7 Sept 2026. Manifest publication-graph-cohort-2026-09-07.1.

Source receipt: pubmed, retrieved 7 Sept 2026.

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