Justin A. Lemkul
Orcid: 0000-0001-6661-8653
According to our database1,
Justin A. Lemkul
authored at least 12 papers
between 2009 and 2023.
Collaborative distances:
Collaborative distances:
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Bibliography
2023
Differences in Conformational Sampling and Intrinsic Electric Fields Drive Ion Binding in Telomeric and TERRA G-Quadruplexes.
J. Chem. Inf. Model., November, 2023
J. Chem. Inf. Model., July, 2023
2022
CHARMM-GUI Drude prepper for molecular dynamics simulation using the classical Drude polarizable force field.
J. Comput. Chem., 2022
2020
Ion Binding Properties and Dynamics of the bcl-2 G-Quadruplex Using a Polarizable Force Field.
J. Chem. Inf. Model., 2020
2019
Integrating Scientific Programming in Communities of Practice for Students in the Life Sciences.
Proceedings of the Practice and Experience in Advanced Research Computing on Rise of the Machines (learning), 2019
2018
J. Comput. Chem., 2018
Molecular dynamics simulations using the drude polarizable force field on GPUs with OpenMM: Implementation, validation, and benchmarks.
J. Comput. Chem., 2018
2016
DIRECT-ID: An automated method to identify and quantify conformational variations - application to β<sub>2</sub>-adrenergic GPCR.
J. Comput. Chem., 2016
2015
Implementation of extended Lagrangian dynamics in GROMACS for polarizable simulations using the classical Drude oscillator model.
J. Comput. Chem., 2015
2010
J. Chem. Inf. Model., 2010
2009
J. Comput. Chem., 2009