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Article

Computational modeling of substrate specificity and catalysis of the β-secretase (BACE1) enzyme.

Biochemistry - 24 May 2011

Barman Arghya, Schürer Stephan, Prabhakar Rajeev

Abstract excerpt

In this combined MD simulation and DFT study, interactions of the wild-type (WT) amyloid precursor protein (APP) and its Swedish variant (SW), Lys670 → Asn and Met671 → Leu, with the beta-secretase (BACE1) enzyme and their cleavage mechanisms have been investigated. BACE1 catalyzes the rate-limiting step in the generation of 40-42 amino acid long Alzheimer amyloid beta (Aβ) peptides. All key structural parameters...

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Share to Amyloid beta-Protein Precursor
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Methodology Data sources Editorial policy Privacy About Contact Helena Bioinformatics

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Source

Identifiers

PMID: 21500768
DOI: 10.1021/bi200081h

Genes

BACE1
APP

Provenance

PubMed metadata and Literature Corpus relationships. Corpus snapshot updated 6 Sept 2026. Manifest publication-graph-cohort-2026-09-06.1.

Source receipt: pubmed, retrieved 6 Sept 2026.

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