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Article

A comparative molecular similarity index analysis (CoMSIA) study identifies an HLA-A2 binding supermotif.

Journal of computer-aided molecular design - 1 Jan 2000

Doytchinova Irini A, Flower Darren R

Abstract excerpt

The 3D-QSAR CoMSIA technique was applied to a set of 458 peptides binding to the five most widespread HLA-A2-like alleles: A*0201, A*0202, A*0203, A*0206 and A*6802. Models comprising the main physicochemical properties (steric bulk, electron density, hydrophobicity and hydrogen-bond formation abilities) were obtained with acceptable predictivity (q2 ranged from 0.385 to 0.683). The use of coefficient contour...

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Identifiers

PMID: 12602948
DOI: 10.1023/a:1021917203966

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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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