Justin A Lemkul

31PUBLICATIONS
87CO-AUTHORS
Proteomics and intermolecular interactions (excl. medical proteomics)Animal protection (incl. pests and pathogens)Biomolecular modelling and designOptical properties of materialsComputer aided design
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Publications (31)

|Jun 24, 2026
Comparing Enhanced Sampling Methods in Exploring the Conformational Space of β-Catenin17-48.

|Jun 04, 2026
Pick Your Poison: Tetrodotoxin Variants Give Pacific Newts a Potential Leg Up in the Coevolutionary Arms Race with Resistant Garter Snake Predators.

|Jan 09, 2026
Drude SILCS-Nucleic: Harnessing Explicit Electronic Polarization in Targeting RNA and DNA for Drug Design.

Haley M Michel, Anne M Brown, Alexander D MacKerell

|Jan 06, 2026
Insights into the Electronic and Structural Properties of Cellulose and Amylose: A Comparative Force Field Study.

Esmat Mohammadi, Justin A Lemkul

|Aug 22, 2025
Running Gaussian-accelerated Molecular Dynamics Simulations in NAMD [Article v1.0].

Haley M Michel, Marcelo D Polêto, Justin A Lemkul

|Jul 19, 2025
The pH-Dependent Specificity of Cathepsin S and Its Implications for Inflammatory Communications and Disease.

Riley DeHority, Laura I Gil Pineda, Kari Cochran

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Frequent Collaborators

7 joint publications

Alexander D MacKerell

6 joint publications

Marcelo D Polêto

5 joint publications

Haley M Michel

2 joint publications

Ariana Umana