Justin Lemkul
Associate Professor
Blacksburg, Virginia, United States
Summary
👤
Senior🎓
Top SchoolJustin Lemkul is an Associate Professor and computational biochemist with 15 years of experience using molecular dynamics and polarizable force fields to probe protein and nucleic acid structure-function relationships. He led development of a Drude polarizable force field for nucleic acids during his postdoc and has implemented Drude simulations in major engines like GROMACS and OpenMM, contributing documentation improvements to the widely used GROMACS toolkit. His research spans protein aggregation, protein-membrane interactions, and computer-aided drug design, and he runs a group at Virginia Tech applying cutting-edge polarizable models to drug discovery. A seasoned mentor and instructor, he combines hands-on GPU/Linux workstation and software administration with training of undergraduates, graduates, and postdocs.
16 years of coding experience
7 years of employment as a software developer
Virginia Tech
French, English, Spanish
Github Skills (6)
documentation10
acs10
grok10
gr10
r10
technical-writing10
Programming languages (6)
Github contributions (5)
gromacs/gromacs
Aug 2010 - Jan 2022
Public/backup repository of the GROMACS molecular simulation toolkit. Please do not mine the metadata blindly; we use https://gitlab.com/gromacs/gromacs for code review and issue tracking.
Role in this project:
Technical Writer
Technical WriterContributions:392 commits in 11 years 6 months
Contributions summary:Justin primarily contributed to the documentation of the GROMACS molecular simulation toolkit. Their work focused on improving the clarity, formatting, and overall presentation of the manual, including correcting typos and updating descriptions of various program functionalities. The changes demonstrate a focus on enhancing the user experience by providing accurate and accessible information about the software's features and usage, and ensuring consistency across the documentation. They added more details to various help files to improve user understanding.
molecular-simulation
jalemkul/gmx_tutorials_livecoms
Mar 2018 - Jun 2019
LiveCoMS GROMACS Tutorials Paper
Contributions:1 release, 21 commits, 3 PRs in 1 year 4 months
gromacscomputational-biologysystems-biologybiology
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