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Article

Molecular insight into the interaction between IFABP and PA by using MM-PBSA and alanine scanning methods.

The journal of physical chemistry. B - 2 Aug 2007

Zou Hanjun, Luo Cheng, Zheng Suxin, Luo Xiaomin, Zhu Weiliang, Chen Kaixian, Shen Jianhua, Jiang Hualiang

Abstract excerpt

The molecular mechanics Poisson-Boltzmann surface area (MM-PBSA) method combined with alanine-scanning mutagenesis is a very important tool for rational drug design. In this study, molecular dynamics (MD) and MM-PBSA were applied to calculate the binding free energy between the rat intestinal fatty acid binding protein (IFABP) and palmitic acid (PA) to gain insight to the interaction details. Equally spaced...

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Source

Identifiers

PMID: 17602517
DOI: 10.1021/jp0713763

Provenance

PubMed metadata and Literature Corpus relationships. Corpus snapshot updated 7 Sept 2026. Manifest publication-graph-cohort-2026-09-08.1.

Source receipt: pubmed, retrieved 7 Sept 2026.

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