| MDAnalysis: a Python package for the rapid analysis of molecular dynamics simulations RJ Gowers, M Linke, J Barnoud, TJE Reddy, MN Melo, SL Seyler, ... Los Alamos National Laboratory (LANL), Los Alamos, NM (United States), 2019 | 1474 | 2019 |
| Proceedings of the 15th python in science conference RJ Gowers, M Linke, J Barnoud, TJE Reddy, MN Melo, SL Seyler, ... Austin, TX, 2016 | 74 | 2016 |
| Prediction of cyclohexane-water distribution coefficients for the SAMPL5 data set using molecular dynamics simulations with the OPLS-AA force field IM Kenney, O Beckstein, BI Iorga Journal of computer-aided molecular design 30, 1045-1058, 2016 | 28 | 2016 |
| MDAnalysis: A Python Package for the Rapid Analysis of Molecular Dynamics Simulations, 2016 RJ Gowers, M Linke, J Barnoud, T Reddy, M Melo, S Seyler, J Domański, ... Los Alamos National Lab.(LANL), Los Alamos, NM (United States), 2020 | 27 | 2020 |
| SAMPL6: calculation of macroscopic pKa values from ab initio quantum mechanical free energies E Selwa, IM Kenney, O Beckstein, BI Iorga Journal of computer-aided molecular design 32 (10), 1203-1216, 2018 | 24 | 2018 |
| MDAnalysis: A Python Package for the Rapid Analysis of Molecular Dynamics Simulations; Austin, Texas, 2016 R Gowers, M Linke, J Barnoud, T Reddy, M Melo, S Seyler, J Domański, ... There is no corresponding record for this reference, 98-105, 0 | 23 | |
| Crystal structure of the Na+/H+ antiporter NhaA at active pH reveals the mechanistic basis for pH sensing I Winkelmann, P Uzdavinys, IM Kenney, J Brock, PF Meier, LM Wagner, ... Nature communications 13 (1), 6383, 2022 | 20 | 2022 |
| Energy coupling and stoichiometry of Zn2+/H+ antiport by the prokaryotic cation diffusion facilitator YiiP A Hussein, S Fan, M Lopez-Redondo, I Kenney, X Zhang, O Beckstein, ... Elife 12, RP87167, 2023 | 7 | 2023 |
| Thermodynamically consistent determination of free energies and rates in kinetic cycle models IM Kenney, O Beckstein Biophysical Reports 3 (3), 2023 | 5 | 2023 |
| alchemlyb: the simple alchemistry library Z Wu, D Dotson, I Alibay, B Allen, MS Barhaghi, J Hénin, T Joseph, ... Journal of Open Source Software 9 (101), 6934, 2024 | 2 | 2024 |
| alchemlyb: the simple alchemistry library W Zhiyi, DL Dotson, I Alibay, BK Allen, MS Barhaghi, J Hénin, TT Joseph, ... JOURNAL OF OPEN SOURCE SOFTWARE 9 (101), ---, 2024 | | 2024 |
| Inferring the transport stoichiometry of the proton/zinc transporter YiiP from microscale thermophoresis and simulations S Fan, AK Hussein, IM Kenney, DL Stokes, O Beckstein Biophysical Journal 122 (3), 530a, 2023 | | 2023 |
| Thermodynamically consistent stochastic models for active transmembrane transport processes O Beckstein, IM Kenney, N Awtrey, S Fan Biophysical journal 122 (3), 33a, 2023 | | 2023 |
| Construction of Potential Graphs from Relative Free Energies IM Kenney, S Pressé, O Beckstein Biophysical Journal 120 (3), 269a, 2021 | | 2021 |
| Highlights from recent SAMPL participations H Nedev, S Fan, IM Kenney, O Beckstein, B Iorga 16th German Conference on Cheminformatics and SAMPL Satellite Workshop …, 2020 | | 2020 |
| Molecular Mechanism of Alternating-access Transport in a Sodium/Proton Antiporter O Beckstein, IM Kenney, C Zhang, F Naughton, R Sexton, S Fan, ... Biophysical Journal 118 (3), 19a, 2020 | | 2020 |
| Formalism for coupled equilibria: statistical mechanics and applications I Kenney, B Iorga, S Pressé, O Beckstein Bulletin of the American Physical Society 63, 2018 | | 2018 |
| pKa prediction on the SAMPL6 dataset: Lessons learned E Selwa, IM Kenney, O Beckstein, B Iorga D3R/SAMPL Workshop 2018, 2018 | | 2018 |
| Towards an automated pipeline for solvation free energy calculations I Kenney, O Beckstein, B Iorga Bulletin of the American Physical Society 60, 2015 | | 2015 |
| Technical Report: SPIDAL Summer REU 2015: Biomolecular benchmark systems I Kenney, O Beckstein | | 2015 |
