Ian M. Kenney

发表

SAMPL6: calculation of macroscopic pKa values from ab initio quantum mechanical free energies

Bogdan I. Iorga, Oliver Beckstein, Edithe Selwa, 2018, Journal of Computer-Aided Molecular Design.

Technical Report: SPIDAL Summer REU 2015: Biomolecular benchmark systems

Oliver Beckstein, Ian M. Kenney, O. Beckstein, 2015 .

Prediction of cyclohexane-water distribution coefficients for the SAMPL5 data set using molecular dynamics simulations with the OPLS-AA force field

Bogdan I. Iorga, Oliver Beckstein, Ian M. Kenney, 2016, Journal of Computer-Aided Molecular Design.

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

Oliver Beckstein, Ian M. Kenney, Richard Gowers, 2016, SciPy.

Crystal structure of the Na+/H+ antiporter NhaA at active pH reveals the mechanistic basis for pH sensing

Ian M. Kenney, P. Uzdavinys, O. Beckstein, 2022, Nature Communications.

Energy Coupling and Stoichiometry of Zn2+/H+ Antiport by the Cation Diffusion Facilitator YiiP

Ian M. Kenney, D. Stokes, M. López-Redondo, 2023, bioRxiv.

Thermodynamically consistent determination of free energies and rates in kinetic cycle models

Ian M. Kenney, O. Beckstein, 2023, bioRxiv.

Thermodynamically consistent determination of free energies and rates in kinetic cycle models.

Ian M. Kenney, O. Beckstein, 2023, Biophysical reports.

MDAKits: A Framework for FAIR-Compliant Molecular Simulation Analysis

Ian M. Kenney, Richard J. Gowers, J. Barnoud, 2023, Proceedings of the Python in Science Conference.

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

Ian M. Kenney, Sean L. Seyler, Richard J. Gowers, 2016, SciPy.

Energy coupling and stoichiometry of Zn2+/H+ antiport by the prokaryotic cation diffusion facilitator YiiP

Ian M. Kenney, M. López-Redondo, O. Beckstein, 2023, eLife.