Large-Scale Distributed Training of Transformers for Chemical Fingerprinting

por Abdel-Aty, Hisham, Gould, Ian R.
Publicado 2022

Modulation of Structure and Dynamics of Cardiac Troponin by Phosphorylation and Mutations Revealed by Molecular Dynamics Simulations

por Yang, Zeyu, Marston, Steven B., Gould, Ian R.
Publicado 2023

Lipid21: Complex Lipid Membrane Simulations with AMBER

por Dickson, Callum J., Walker, Ross C., Gould, Ian R.
Publicado 2022

Design, synthesis and evaluation of a tripodal receptor for phosphatidylinositol phosphates

por Reeh, Katharina, Summers, Peter A., Gould, Ian R., Woscholski, Rudiger, Vilar, Ramon
Publicado 2020

Functional asymmetry in the lysyl-tRNA synthetase explored by molecular dynamics, free energy calculations and experiment

por Hughes, Samantha J, Tanner, Julian A, Hindley, Alison D, Miller, Andrew D, Gould, Ian R
Publicado 2003

A TDDFT investigation of the Photosystem II reaction center: Insights into the precursors to charge separation

por Kavanagh, Maeve A., Karlsson, Joshua K. G., Colburn, Jonathan D., Barter, Laura M. C., Gould, Ian R.
Publicado 2020

Lipid14: The Amber Lipid Force Field

por Dickson, Callum J., Madej, Benjamin D., Skjevik, Åge A., Betz, Robin M., Teigen, Knut, Gould, Ian R., Walker, Ross C.
Publicado 2014