R. Sankararamakrishnan

Membrane-binding properties of NS1 proteins from Zika and Dengue viruses: Comparative simulations in explicit bilayers reveal significant differences

This study compares the membrane-binding properties of ZIKV and DENV NS1 proteins using MD simulations, revealing significant differences in insertion depth and residue interactions.

Dissociation of CED-4 from CED-9 upon EGL-1 binding: Molecular mechanism of linear apoptotic pathway in Caenorhabditis elegans

This study models the CED-9/CED-4/EGL-1 ternary complex and simulates its dynamics to elucidate the molecular mechanism of CED-4 release from CED-9 during apoptosis in C. elegans.

Designing BH3-mimetic Peptide Inhibitors for the Viral Bcl-2 Homologs A179L and BHRF1: Importance of long-range electrostatic interactions

This study designs BH3-mimetic peptides to inhibit viral Bcl-2 homologs A179L and BHRF1, finding that long-range electrostatic interactions are critical for inhibitor efficacy.

Unraveling the substrate preference of an uncharacterized phylogenetic subgroup in Formate/Nitrite Transporter (FNT) family: Computational studies of anion transport in Escherichia coli FNT homolog

This study uses computational methods to show that Escherichia coli YfdC, an uncharacterized FNT family member, is not an anion channel but may transport neutral or cationic substrates due to specific charged residues.

Cooperativity in Plant Plasma Membrane Intrinsic Proteins (PIPs): Mechanism of Increased Water Transport in Maize PIP1 Channels in Hetero-tetramers

This study investigates how hetero-tetramers of maize PIP1 and PIP2 channels enhance water transport through molecular dynamics simulations and residue analysis.