Justin Lemkul - Associate Professor

Justin Lemkul

Associate Professor

Blacksburg, Virginia, United States

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Summary

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Senior

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Top School

Justin 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.

15 years of coding experience

7 years of employment as a software developer

Virginia Tech

English, Spanish

Github Skills (6)

technical-writing10

acs10

grok10

gr10

r10

documentation10

Programming languages (4)

C++TeXTclPython

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

Contributions: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.

gromacspythonissue-trackinggitlabmolecular

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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