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Article

Electrostatic interaction-mediated conformational changes of adipocyte fatty acid binding protein probed by molecular dynamics simulation.

Journal of biomolecular structure & dynamics - 1 Sept 2019

Yan Fangfang, Liu Xinguo, Zhang Shaolong, Su Jing, Zhang Qinggang, Chen Jianzhong

Abstract excerpt

Adipocyte fatty acid binding protein (A-FABP) is a potential drug target for treatment of diabetes, obesity and atherosclerosis. Molecular dynamics (MD) simulations, principal component (PC) analysis and binding free energy calculations were combined to probe effect of electrostatic interactions of residues R78, R106 and R126 with inhibitors ZGB, ZGC and IBP on structural stability of three inhibitor/A-FABP...

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Methodology Data sources Editorial policy Privacy About Contact Helena Bioinformatics

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Source

Identifiers

PMID: 30193557
DOI: 10.1080/07391102.2018.1520648

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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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