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Article

Analysis of mutations of defensin protein using accelerated molecular dynamics simulations.

PloS one - 1 Jan 2020

Pandey Bharati, Tyagi Chetna, Prajapati Gopal Kumar, Mishra Awdhesh Kumar, Hashem Abeer, Alqarawi Abdulaziz A, Abd Allah Elsayed Fathi, Mohanta Tapan Kumar

Abstract excerpt

Plant defensins possess diverse biological functions that include antifungal and antibacterial activities and α-amylase and trypsin inhibitory properties. Two mutations, G9R and V39R, were confirmed to increase the antifungal activity of Raphanus sativus antifungal protein 2 (RsAFP2). Accelerated Molecular Dynamics (aMD) were carried out to examine the conformational changes present in these RsAFP2 mutants, and...

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Identifiers

PMID: 33253167
DOI: 10.1371/journal.pone.0241679
PMCID: PMC7703945

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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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