Ian M. Kenney
Orcid: 0000-0002-9749-8866
According to our database1,
Ian M. Kenney
authored at least 4 papers
between 2016 and 2024.
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Bibliography
2024
2018
SAMPL6: calculation of macroscopic pK a values from ab initio quantum mechanical free energies.
J. Comput. Aided Mol. Des., 2018
2016
Prediction of cyclohexane-water distribution coefficients for the SAMPL5 data set using molecular dynamics simulations with the OPLS-AA force field.
J. Comput. Aided Mol. Des., 2016
MDAnalysis: A Python Package for the Rapid Analysis of Molecular Dynamics Simulations.
Proceedings of the 15th Python in Science Conference 2016 (SciPy 2016), Austin, Texas, July 11, 2016