Author
Listed by name: these papers carry no ORCID for this author, so different people with the same name may be mixed together.
11 papers
Recent·Most cited
T. B. Ansell, M. Healy, C. E. Coupland…·C. Siebold
This study uses molecular dynamics and bioinformatics to analyze structural and dynamic differences across MBOAT family members, identifying key features relevant to inhibitor design.
L. S. Stelzl, P. Kritsiligkou, A. R. Mehdipour…·C. Redfield
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.
R. A. Corey, N. Harrison, P. J. Stansfeld…·A. L. Duncan
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.
C. E. Coupland, S. A. Andrei, T. B. Ansell…·C. Siebold
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.
S. Jojoa-Cruz, K. Saotome, C. C. Tsui…·A. B. Ward
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.
T. B. Ansell, L. Curran, M. R. Horrell…·R. A. Corey
This study develops a method to determine protein-lipid binding affinities from MD simulations and validates it against experimental and computational methods.
R. A. Corey, W. Song, A. Duncan…·P. J. Stansfeld
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.
M. S. P. Sansom, A. H. Larsen, L. Tata, L. John
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.
S. Rao, G. Klesse, P. J. Stansfeld…·M. S. P. Sansom
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.
K. Saotome, B. Teng, C. C. Tsui…·A. B. Ward
The paper reports cryo-EM structures of zebrafish Otop1 and chicken Otop3, revealing their dimeric architecture and potential proton conduction pathways.