Ian M. Kenney

According to our database, Ian M. Kenney authored at least 4 papers between 2016 and 2024.

Collaborative distances:

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

2024

alchemlyb: the simple alchemistry library.

Zhiyi Wu, David L. Dotson, Irfan Alibay, Bryce K. Allen, Mohammad Soroush Barhaghi, Jérôme Hénin, Thomas T. Joseph, Ian M. Kenney, Hyungro Lee, Haoxi Li, Victoria T. Lim, Shuai Liu, Domenico Marson, Pascal T. Merz, Alexander Schlaich, David L. Mobley, Michael R. Shirts, Oliver Beckstein

J. Open Source Softw., 2024

2018

SAMPL6: calculation of macroscopic pK a values from ab initio quantum mechanical free energies.

Edithe Selwa, Ian M. Kenney, Oliver Beckstein, Bogdan I. Iorga

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.

Ian M. Kenney, Oliver Beckstein, Bogdan I. Iorga

J. Comput. Aided Mol. Des., 2016

MDAnalysis: A Python Package for the Rapid Analysis of Molecular Dynamics Simulations.

Richard J. Gowers, Max Linke, Jonathan Barnoud, Tyler J. E. Reddy, Manuel N. Melo, Sean L. Seyler, Jan J. Domanski, David L. Dotson, Sébastien Buchoux, Ian M. Kenney, Oliver Beckstein

Proceedings of the 15th Python in Science Conference 2016 (SciPy 2016), Austin, Texas, July 11, 2016