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Article

Product Release Pathways in Human and Plasmodium falciparum Phosphoribosyltransferase.

Journal of chemical information and modeling - 22 Aug 2016

Karmakar Tarak, Roy Sourav, Balaram Hemalatha, Prakash Meher K, Balasubramanian Sundaram

Abstract excerpt

Atomistic molecular dynamics (MD) simulations coupled with the metadynamics technique were carried out to delineate the product (PPi.2Mg and IMP) release mechanisms from the active site of both human (Hs) and Plasmodium falciparum (Pf) hypoxanthine-guanine-(xanthine) phosphoribosyltransferase (HG(X)PRT). An early movement of PPi.2Mg from its binding site has been observed. The swinging motion of the Asp side...

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Identifiers

PMID: 27404508
DOI: 10.1021/acs.jcim.6b00203

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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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