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Disambiguation of "Lemkul, Justin A."

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Molecular dynamics simulations using the drude polarizable force field on GPUs with OpenMM: Implementation, validation, and benchmarks.

, , , and . J. Comput. Chem., 39 (21): 1682-1689 (2018)

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Justin Winter

Justin Möhring

Justin Lang

Justin Bayer

Justin Ghan

 

Other publications of authors with the same name

Integrating Scientific Programming in Communities of Practice for Students in the Life Sciences., , and . PEARC, page 83:1-83:6. ACM, (2019)Molecular dynamics simulations using the drude polarizable force field on GPUs with OpenMM: Implementation, validation, and benchmarks., , , and . J. Comput. Chem., 39 (21): 1682-1689 (2018)Polarizable force field for RNA based on the classical drude oscillator., and . J. Comput. Chem., 39 (32): 2624-2646 (2018)Differences in Conformational Sampling and Intrinsic Electric Fields Drive Ion Binding in Telomeric and TERRA G-Quadruplexes., and . J. Chem. Inf. Model., 63 (21): 6851-6862 (November 2023)TUPÃ: Electric field analyses for molecular simulations., and . J. Comput. Chem., 43 (16): 1113-1119 (2022)Practical Considerations for Building GROMOS-Compatible Small-Molecule Topologies., , and . Journal of Chemical Information and Modeling, 50 (12): 2221-2235 (2010)Ion Binding Properties and Dynamics of the bcl-2 G-Quadruplex Using a Polarizable Force Field., , and . J. Chem. Inf. Model., 60 (12): 6476-6488 (2020)CHARMM-GUI Drude prepper for molecular dynamics simulation using the classical Drude polarizable force field., , , , , , , , and . J. Comput. Chem., 43 (5): 359-375 (2022)Implementation of extended Lagrangian dynamics in GROMACS for polarizable simulations using the classical Drude oscillator model., , , and . J. Comput. Chem., 36 (19): 1473-1479 (2015)DIRECT-ID: An automated method to identify and quantify conformational variations - application to β2-adrenergic GPCR., , , and . J. Comput. Chem., 37 (4): 416-425 (2016)