Ian R. Gould

Molecular Sciences Institute — United States

Chemistry · Physical Sciences

51h-index22.6kcitations212works2.02yr avg
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Research Topics

Photochemistry and Electron Transfer Studies(72), Spectroscopy and Quantum Chemical Studies(47), Advanced Chemical Physics Studies(30), Radical Photochemical Reactions(30), RNA and protein synthesis mechanisms(16)

Publications212 total

5,7-Dimethoxychroman-3-yl 4-methoxybenzoate Has a Unique Effect upon the Modulation of Mutant Cardiac Muscle Thin Filament Function and Dynamics due to Phosphorylation of Troponin I
ACS Pharmacology & Translational Science·2025· 1 citedOpen Access
Loss of ERG function causes lymphatic vessel malformations and primary lymphoedema
2025· 1 citedOpen Access
Nutraceuticals silybin B, resveratrol, and epigallocatechin-3 gallate-bind to cardiac muscle troponin to restore the loss of lusitropy caused by cardiomyopathy mutations in vitro, in vivo, and in silico
Frontiers in Physiology·2024· 3 citedOpen Access
Nutraceuticals Silybin B, resveratrol and epigallocatechin-3 gallate (EGCG) bind to cardiac muscle troponin to restore the loss of lusitropy caused by cardiomyopathy mutations <i>in vitro, in vivo</i> , and <i>in silico</i>
2024Open Access
The mycobacterium lipid transporter MmpL3 is dimeric in detergent solution, SMALPs and reconstituted nanodiscs
RSC Chemical Biology·2024· 5 citedOpen Access
Modulation of Structure and Dynamics of Cardiac Troponin by Phosphorylation and Mutations Revealed by Molecular Dynamics Simulations
The Journal of Physical Chemistry B·2023· 7 citedOpen Access
Large-Scale Distributed Training of Transformers for Chemical Fingerprinting
Journal of Chemical Information and Modeling·2022· 28 citedOpen Access
Modulation of structure and dynamics of cardiac troponin by phosphorylation and mutations revealed by molecular dynamics simulations
2022· 2 citedOpen Access
Modulation of cardiac thin filament structure by phosphorylated troponin-I analyzed by protein-protein docking and molecular dynamics simulation
Archives of Biochemistry and Biophysics·2022· 19 citedOpen Access
Lipid21: Complex Lipid Membrane Simulations with AMBER
Journal of Chemical Theory and Computation·2022· 331 citedOpen Access
N-Terminal domains of cardiac troponin-I modulate thin filament structure
Biophysical Journal·2022
Author response for "Machine learning platform for determining experimental lipid phase behaviour from small angle X-ray scattering patterns by pre-training on synthetic data"
2022
Machine learning platform for determining experimental lipid phase behaviour from small angle X-ray scattering patterns by pre-training on synthetic data
Digital Discovery·2022· 11 citedOpen Access
Design, synthesis and evaluation of a tripodal receptor for phosphatidylinositol phosphates
Scientific Reports·2020· 5 citedOpen Access
A TDDFT investigation of the Photosystem II reaction center: Insights into the precursors to charge separation
Proceedings of the National Academy of Sciences·2020· 13 citedOpen Access
A computational study of Anthracyclines interacting with lipid bilayers: Correlation of membrane insertion rates, orientation effects and localisation with cytotoxicity
Scientific Reports·2019· 22 citedOpen Access
Modeling the Effect of BSEP Inhibitors in Lipid Bilayers by Means of All-Atom Molecular Dynamics Simulation
ACS Omega·2019· 3 citedOpen Access
Mechanism of Photoinduced Triplet Intermolecular Hydrogen Transfer between Cycloxydim and Chlorothalonil
The Journal of Physical Chemistry A·2018· 4 cited
The Molecular Defects in Ca2+ Regulation due to Mutations that Cause Hypertrophic Cardiomyopathy can be Reversed by Small Molecules that Bind to Troponin
Biophysical Journal·2018· 1 citedOpen Access
Engineering plant membranes using droplet interface bilayers
Biomicrofluidics·2017· 16 citedOpen Access
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Frequent Co-authors

Samir Farid(12), Ross C. Walker(8), Joshua L. Goodman(8), Callum J. Dickson(6), Peter A. Kollman(4), Benjamin D. Madej(4), Dimitrios Noukakis(4), Ralph H. Young(4), Anne B. Myers(4), Ian H. Hillier(4), Joseph P. Dinnocenzo(4), Wendy D. Cornell(3), Åge A. Skjevik(3), Knut Teigen(3), W. P. Todd(3), David R. Klug(3), A. A. Gorman(3), I. Hamblett(3), Piotr Cieplak(2), Christopher I. Bayly(2)