Vivek Sharma

Conformational dynamics of ND2 antiporter-like subunit in intact and truncated complex I

This study uses molecular dynamics simulations to investigate conformational changes in the ND2 subunit of complex I, revealing a previously unobserved structural transition linked to proton pumping.

Fast prediction of acidic amino acid sidechain conformations for cryo-EM modeling

The paper develops a workflow to predict sidechain conformations of acidic amino acids in cryo-EM maps, validated through Q-score and molecular dynamics simulations.

Molecular and Energetic Basis of Histidine Switch Dynamics in Respiratory Complex I

This study investigates the molecular and energetic basis of histidine switch dynamics in respiratory complex I using simulations, showing its coupling to lysine charge states and role in proton transfer.

Quinone-transporting filaments extend the respiratory chain of Gram positive bacteria

This study identifies quinone-transporting filaments in Bacillus subtilis as an alternative to membrane invaginations for expanding respiratory capacity in Gram-positive bacteria.

In situ Structure of the Human Gap Junction

The paper determines the in situ structure of human Cx43 gap junction plaques using cryogenic electron tomography, revealing the role of the C-terminal domain in plaque assembly.

Gating Mechanism of the Human Connexin 45 Gap Junction Channel

This study determines the structural basis of Cx45 gating and Ca2+ regulation using cryo-EM, revealing a dual steric-electrostatic mechanism.

Catalytic relevance of quinol anion in biological energy conversion by respiratory complex I

The paper investigates the role of the quinol anion in respiratory complex I using simulations, showing its anionic nature and role in proton-coupled electron transfer.

Proton transfer through a charged conduit in respiratory complex I - long range effects and conformational gating

The paper uses QM/MM simulations to study proton transfer through the E channel in complex I, identifying energetically favorable paths and a gating role for a conserved tyrosine residue.

A Protein Antibiotic Inhibits the BAM Complex to Kill Without Cell Entry

This study shows that L-type pyocins inhibit the BAM complex at the cell surface to kill Pseudomonas aeruginosa without entering the cell.

Conformational dynamics of a histidine molecular switch in a cation/proton antiporter

The paper investigates the conformational dynamics of a histidine switch in the MrpA subunit of a cation/proton antiporter, showing how charge and protonation state changes drive proton transport.