Justin A. Lemkul
Virginia Tech(US)
Publications by Year
Research Areas
Protein Structure and Dynamics, DNA and Nucleic Acid Chemistry, Advanced biosensing and bioanalysis techniques, Alzheimer's disease research and treatments, RNA and protein synthesis mechanisms
Most-Cited Works
- → CHARMM-GUI Input Generator for NAMD, GROMACS, AMBER, OpenMM, and CHARMM/OpenMM Simulations Using the CHARMM36 Additive Force Field(2015)4,144 cited
- → An Empirical Polarizable Force Field Based on the Classical Drude Oscillator Model: Development History and Recent Applications(2016)628 cited
- → Assessing the Stability of Alzheimer’s Amyloid Protofibrils Using Molecular Dynamics(2010)499 cited
- → From Proteins to Perturbed Hamiltonians: A Suite of Tutorials for the GROMACS-2018 Molecular Simulation Package [Article v1.0](2018)475 cited
- → GridMAT‐MD: A grid‐based membrane analysis tool for use with molecular dynamics(2008)313 cited
- → Parametrization of halogen bonds in the CHARMM general force field: Improved treatment of ligand–protein interactions(2016)288 cited
- → Practical Considerations for Building GROMOS-Compatible Small-Molecule Topologies(2010)200 cited
- → Destabilizing Alzheimer’s Aβ42Protofibrils with Morin: Mechanistic Insights from Molecular Dynamics Simulations(2010)177 cited
- → Molecular dynamics simulations using the drude polarizable force field on GPUs with OpenMM: Implementation, validation, and benchmarks(2018)118 cited
- → The Role of Molecular Simulations in the Development of Inhibitors of Amyloid β-Peptide Aggregation for the Treatment of Alzheimer’s Disease(2012)108 cited