Lauren Wickstrom, Ph.D.
Affiliations: | 2009 | Stony Brook University, Stony Brook, NY, United States |
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"Lauren Wickstrom"Mean distance: 5687.57
Parents
Sign in to add mentor| Carlos Simmerling | grad student | 2009 | SUNY Stony Brook | |
| (The dynamic nature of the folded and unfolded states of the villin headpiece helical subdomain.) | ||||
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Publications
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| Wickstrom L, Gallicchio E, Chen L, et al. (2022) Developing end-point methods for absolute binding free energy calculation using the Boltzmann-quasiharmonic model. Physical Chemistry Chemical Physics : Pccp |
| Chen L, Cruz A, Roe DR, et al. (2021) Thermodynamic Decomposition of Solvation Free Energies with Particle Mesh Ewald and Long-Range Lennard-Jones Interactions in Grid Inhomogeneous Solvation Theory. Journal of Chemical Theory and Computation |
| Tse C, Wickstrom L, Kvaratskhelia M, et al. (2020) Exploring the Free-Energy Landscape and Thermodynamics of Protein-Protein Association. Biophysical Journal |
| Cruz J, Wickstrom L, Yang D, et al. (2020) Combining Alchemical Transformation with Physical Pathway to Accelerate Absolute Binding Free Energy Calculations of Charged Ligands to Enclosed Binding Sites. Journal of Chemical Theory and Computation |
| Pal RK, Gadhiya S, Ramsey S, et al. (2019) Inclusion of enclosed hydration effects in the binding free energy estimation of dopamine D3 receptor complexes. Plos One. 14: e0222902 |
| He P, Sarkar S, Gallicchio E, et al. (2019) The Role of Displacing Confined Solvent in the Conformational Equilibrium of β-Cyclodextrin. The Journal of Physical Chemistry. B |
| Deng N, Xia J, Wickstrom L, et al. (2019) Ligand Selectivity in the Recognition of Protoberberine Alkaloids by Hybrid-2 Human Telomeric G-Quadruplex: Binding Free Energy Calculation, Fluorescence Binding, and NMR Experiments. Molecules (Basel, Switzerland). 24 |
| Deng N, Wickstrom L, Cieplak P, et al. (2017) Resolving the Ligand Binding Specificity in C-MYC G-Quadruplex DNA: Absolute Binding Free Energy Calculations and SPR Experiment. The Journal of Physical Chemistry. B |
| Pal RK, Haider K, Kaur D, et al. (2016) A combined treatment of hydration and dynamical effects for the modeling of host-guest binding thermodynamics: the SAMPL5 blinded challenge. Journal of Computer-Aided Molecular Design |
| Haider K, Wickstrom L, Ramsey S, et al. (2016) Enthalpic Breakdown of Water Structure on Protein Active-Site Surfaces. The Journal of Physical Chemistry. B. 120: 8743-56 |