Ian R. Gould

According to our database, Ian R. Gould authored at least 6 papers between 2007 and 2022.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of four.

2022

Large-Scale Distributed Training of Transformers for Chemical Fingerprinting.

Hisham Abdel-Aty, Ian R. Gould

J. Chem. Inf. Model., 2022

2009

Assessment of standard force field models against high-quality <i>ab initio</i> potential curves for prototypes of pi-pi, CH/pi, and SH/pi interactions.

C. David Sherrill, Bobby G. Sumpter, Mutasem O. Sinnokrot, Michael S. Marshall, Edward G. Hohenstein, Ross C. Walker, Ian R. Gould

J. Comput. Chem., 2009

2008

<i>Ab initio</i> computational study of positron emission tomography ligands interacting with lipid molecule for the prediction of nonspecific binding.

Lula Rosso, Antony D. Gee, Ian R. Gould

J. Comput. Chem., 2008

Structure and dynamics of phospholipid bilayers using recently developed general all-atom force fields.

Lula Rosso, Ian R. Gould

J. Comput. Chem., 2008

2007

Comparison of basis set effects and the performance of <i>ab initio</i> and DFT methods for probing equilibrium fluctuations.

Ross C. Walker, Ian P. Mercer, Ian R. Gould, David R. Klug

J. Comput. Chem., 2007

Correlated <i>ab initio</i> quantum chemical calculations of di- and trisaccharide conformations.

Ian R. Gould, Hoda Abdel-Aal Bettley, Richard A. Bryce

J. Comput. Chem., 2007