N. Haloi

The paper identifies a stimulant derivative binding in a cryptic vestibular pocket of the 5-HT3A receptor using computational and experimental methods.

This study presents cryo-EM structures of the human ρ1 GABAAR under different conditions, revealing structural mechanisms of gating and modulation with implications for pharmaceutical design.

The paper develops a more sensitive nicotine biosensor, iNicSnFR12, capable of detecting nicotine in diluted biofluids at clinically relevant concentrations.

This study uses molecular dynamics simulations and experiments to show that dynamic gating of E. coli outer membrane porin OmpF, mediated by conserved acidic residues, regulates antibiotic permeability and contributes to antibiotic resistance.

This study uses molecular dynamics simulations and experimental validation to show that adding a primary amine to antibiotics enhances their permeation through the outer membrane of Gram-negative bacteria by aligning dipole moments and forming electrostatic interactions.

This study investigates the structural basis of the HKII/VDAC1 complex formation using simulations and electrophysiological measurements, revealing partial blockade of VDAC1 and phosphorylation-dependent disruption of binding.

This study reports the cryo-EM structures of murine secretory and dimeric IgA, revealing their conformational features and interactions with the secretory component.