| 1 |
Molecular Dynamics Simulations of the c-kit1 Promoter G-Quadruplex: Importance of Electronic Polarization on Stability and Cooperative Ion Binding
Salsbury AM, Lemkul JA
Journal of Physical Chemistry B, 123(1), 148, 2019 |
| 2 |
Small Molecule Thermochemistry: A Tool for Empirical Force Field Development
van der Spoel D, Ghahremanpour MM, Lemkul JA
Journal of Physical Chemistry A, 122(45), 8982, 2018 |
| 3 |
An Empirical Polarizable Force Field Based on the Classical Drude Oscillator Model: Development History and Recent Applications
Lemkul JA, Huang J, Roux B, MacKerell AD
Chemical Reviews, 116(9), 4983, 2016 |
| 4 |
Balancing the Interactions of Mg2+ in Aqueous Solution and with Nucleic Acid Moieties For a Polarizable Force Field Based on the Classical Drude Oscillator Model
Lemkul JA, MacKerell AD
Journal of Physical Chemistry B, 120(44), 11436, 2016 |
| 5 |
Induced Dipole-Dipole Interactions Influence the Unfolding Pathways of Wild-Type and Mutant Amyloid beta-Peptides
Lemkul JA, Huang J, MacKerell AD
Journal of Physical Chemistry B, 119(51), 15574, 2015 |
| 6 |
Characterization of Interactions between PilA from Pseudomonas aeruginosa Strain K and a Model Membrane
Lemkul JA, Bevan DR
Journal of Physical Chemistry B, 115(24), 8004, 2011 |
| 7 |
Assessing the Stability of Alzheimer's Amyloid Protofibrils Using Molecular Dynamics
Lemkul JA, Bevan DR
Journal of Physical Chemistry B, 114(4), 1652, 2010 |
