Browsing Balasubramanian Sundaram by Subject "2.0 Angstrom Structure"

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Product Release Pathways in Human and Plasmodium falciparum Phosphoribosyltransferase

Karmakar, Tarak; Roy, Sourav; Balararn, Hemalatha; Prakash, Meher K.; Balasubramanian, Sundaram (American Chemical Society, 2016)

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 ...
Slow ligand-induced conformational switch increases the catalytic rate in Plasmodium falciparum hypoxanthine guanine xanthine phosphoribosyltransferase

Roy, Sourav; Karmakar, Tarak; Rao, Vasudeva S. Prahlada; Nagappa, Lakshmeesha K.; Balasubramanian, Sundaram; Balaram, Hemalatha (Royal Society of Chemistry, 2015)

P. falciparum (Pf) hypoxanthine guanine xanthine phosphoribosyltransferase (HGXPRT) exhibits a unique mechanism of activation where the enzyme switches from a low activity (unactivated) to a high activity (activated) state ...
Structural and dynamical correlations in PfHGXPRT oligomers: A molecular dynamics simulation study

Karmakar, Tarak; Roy, Sourav; Balaram, Hemalatha; Balasubramanian, Sundaram (Taylor & Francis Inc, 2016)

PfHGXPRT is a key enzyme involved in purine nucleotide salvage pathway of the malarial parasite, Plasmodium falciparum. Atomistic molecular dynamics simulations have been performed on two types of PfHGXPRT dimers (D1 and ...

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