M. S. P. Sansom

This study identifies molecular determinants of dynamic protein-protein interactions in DsbD using NMR, molecular dynamics, and AlphaFold modeling, revealing redox-state-dependent binding and a putative thioredoxin binding site.

This study shows that cardiolipin, not monolysocardiolipin, preferentially binds to the interface of mitochondrial supercomplexes containing Complexes III and IV, suggesting MLCL disrupts supercomplex stability in Barth syndrome.

The paper presents the cryo-EM structure of HHAT, revealing its mechanism for transferring palmitate to SHH and identifying a heme group essential for its function.

This study characterizes the mechanosensitive ion channel FLYC1 using cryo-EM, MD simulations, and electrophysiology, revealing structural features and conformational transitions involved in mechano-gating.

This study develops a method to determine protein-lipid binding affinities from MD simulations and validates it against experimental and computational methods.

The paper uses molecular dynamics simulations to analyze cardiolipin interactions with 42 E. coli inner membrane proteins, identifying over 700 binding sites and defining metrics for high-affinity cardiolipin binding.

This study uses molecular dynamics simulations to reveal how the EEA1 FYVE domain binds to PI(3)P-containing membranes through a hinge mechanism involving specific interactions and flexibility.

The paper develops a heuristic model to predict hydrophobic gates in ion channels using radius and hydrophobicity data from molecular dynamics simulations and machine learning.

The paper reports cryo-EM structures of zebrafish Otop1 and chicken Otop3, revealing their dimeric architecture and potential proton conduction pathways.

The paper presents the cryo-EM structure of the mechanically activated ion channel OSCA1.2 and supports its role in mechanosensation.