Browsing Research Articles (Meher K. Prakash) by Issue Date

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Accuracy of Current All-Atom Force-Fields in Modeling Protein Disordered States

Palazzesi, Ferruccio; Prakash, Meher K.; Bonomi, Massimiliano; Barducci, Alessandro (American Chemical Society, 2015)

Molecular Dynamics (MD) plays a fundamental role in characterizing protein disordered states that are emerging as crucial actors in many biological processes. Here we assess the accuracy of three current force-fields in ...
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 ...

Now showing items 1-2 of 2

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