Justin Lemkul
Virginia Polytechnic Institute and State University
H-index: 29
North America-United States
Top articles of Justin Lemkul
Title | Journal | Author(s) | Publication Date |
|---|---|---|---|
Advancing G-quadruplex drug targeting through polarizable simulations and SILCS | Biophysical Journal | Haley M Michel Siena M Morlatt Justin A Lemkul | 2024/2/8 |
Dynamics, Electrostatics, and Thermodynamics of Base Pairing at the LTR-III Quadruplex:Duplex Junction | bioRxiv | Haley M Michel Justin A Lemkul | 2024 |
Characterizing Aβ16–22 aggregation pathways through molecular dynamics simulations | Biophysical Journal | Laura I Gil Pineda Kelsie King Justin A Lemkul Anne M Brown | 2024/2/8 |
Electric fields and induced polarization effects in RNA: Implications for folding and function | Biophysical Journal | Justin A Lemkul | 2024/2/8 |
Structural dynamics of the methyl-coenzyme M reductase active site are influenced by coenzyme F430 modifications | bioRxiv | Marcelo D Poleto Kylie D Allen Justin A Lemkul | 2024 |
Comparing enhanced sampling strategies to study reversible folding of the UUCG RNA tetraloop with the Drude polarizable force field | Biophysical Journal | Sam Farrokhpoor Haley Michel Marcelo D Polêto Justin A Lemkul | 2024/2/8 |
Optimizing PET biorecycling solutions through electronically polarizable simulations | Biophysical Journal | Marcelo D Polêto Justin A Lemkul | 2024/2/8 |
Characterizing the electronic impact of phosphorylation on GSXS tetrapeptides | Biophysical Journal | Candace Miller Laura I Gil Pineda Justin A Lemkul | 2024/2/8 |
From evolution to dynamics: Understanding tetrodotoxin resistance in garter snakes at the molecular level | Biophysical Journal | Kait Malewicz Julia M Montgomery Joel W McGlothlin Justin A Lemkul | 2024/2/8 |
Base Pair Dynamics, Electrostatics, and Thermodynamics at the LTR-III Quadruplex: Duplex Junction | Biophysical Journal | Haley M Michel Justin A Lemkul | 2024/4/3 |
Insights into the electronic and structural properties of cellulose and amylose: A comparative force field study | Biophysical Journal | Esmat Mohammadi Justin A Lemkul | 2024/2/8 |
Investigating potential drug targets in the PIM1 promoter G-quadruplex | Biophysical Journal | Rebekah Fogarty Haley Michel Justin A Lemkul | 2024/2/8 |
The conformational landscape of Aβ10-35 from conventional and weighted ensemble simulations with the Drude polarizable force field | Biophysical Journal | Ashley Goodberlet Justin A Lemkul | 2024/2/8 |
Quantifying Induced Dipole Effects in Small Molecule Permeation in a Model Phospholipid Bilayer | bioRxiv | Julia M Montgomery Justin A Lemkul | 2024 |
Investigating the electrostatic forces influencing the structure and dynamics of the beta-2 adrenergic receptor and WALP peptide | Biophysical Journal | Julia M Montgomery Justin A Lemkul | 2024/2/8 |
Determining the confromational ensemble of the HIV-1 LTR G-quadruplexes through gaussian-accelerated molecular dynamics using the drude polarizable force field | Biophysical Journal | Haley Michel Justin A Lemkul | 2023/2/10 |
An in silico approach to determine inter‐subunit affinities in human septin complexes | Cytoskeleton | Benjamin Grupp Justin A Lemkul Thomas Gronemeyer | 2023/7 |
In vitro validation of Cathepsin S docking models | Riley DeHority¹ Laura I Gil Pineda Kari Cochran¹ Yuanzhi Bian¹ Justin A Lemkul | 2023/5/1 | |
Active-site electronic properties and conformational dynamics of pet-degrading enzymes | Biophysical Journal | Marcelo D Polêto Justin A Lemkul | 2023/2/10 |
Dynamics and conformational heterogeneity of the PIM1 G-quadruplex from polarizable molecular dynamics simulations | Biophysical Journal | Rebekah Fogarty Haley Michel Justin A Lemkul | 2023/2/10 |
