D. Shukla

This study uses molecular dynamics simulations to investigate Na+ binding mechanisms in cannabinoid receptors CB1 and CB2, identifying distinct binding sites and pathways.

This study evaluates how realistic membrane composition affects conformational sampling of a plant sugar transporter using molecular dynamics simulations.

This study identifies discrepancies between DEER spectroscopy and MD simulations of membrane proteins, showing that spin label modifications and membrane mimetics affect distance distributions.

The paper investigates how the BAHD acyltransferase family evolved to use diverse substrates through phylogenetics, biochemistry, and protein structure analysis.

This study shows mTORC2 is essential for host survival during HSV-1 infection by enhancing immunity and reducing cell death.

This study shows that HPSE disrupts innate defense responses, promoting cell survival during HSV-1 infection by inhibiting cell-intrinsic defenses and facilitating host cell reprogramming.

This study investigates how substrate recognition modulates strigolactone receptor selectivity in witchweed using molecular dynamics simulations and structural analysis.

This study uses molecular dynamics simulations to describe the complete substrate exchange cycle of the antiporter NarK, revealing how paired basic residues facilitate substrate exchange.

This study uses molecular simulations to predict the structure of AtROP11 and AtABI1 complex and identifies key residues for their interaction, revealing the mechanism of ABA signaling regulation.

The paper investigates the relationship between HIF1a and androgen signaling pathways in prostate cancer, finding they operate independently and identify shared genes associated with poor prognosis.

This study investigates the molecular mechanisms of brassinosteroid binding to the BRI1 receptor using molecular dynamics simulations, revealing differences in binding affinity and conformational changes between two bioactive BRs.

This study investigates how brassinosteroids (BRs) activate their receptors BRI1 and BAK1 in Arabidopsis thaliana using molecular dynamics simulations, revealing key contributions of BR interactions and conformational changes to receptor association.

This study identifies heparanase and cathepsin L as host enzymes that facilitate HSV-2 release from cells through heparan sulfate shedding and transcriptional regulation.