Effect of Hydrophobic Core Topology and Composition on the Structure and Kinetics of Star Polymers: A Molecular Dynamics Study
- Amber C. Carr
- Lisa E. Felberg
- et al.
- 2017
- Journal of Physical Chemistry B
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Interplay between Conformational Heterogeneity and Hydration in the Folding Landscape of a Designed Three-Helix Bundle
- Gregory S. Custer
- Payel Das
- et al.
- 2017
- Journal of Physical Chemistry B
Size-Dependent Fullerene-Fullerene Interactions in Water: A Molecular Dynamics Study
- Adam J. Makarucha
- Julia S. Baldauf
- et al.
- 2016
- Journal of Physical Chemistry B
Simulation and Experiments to Identify Factors Allowing Synthetic Control of Structural Features of Polymeric Nanoparticles
- William C. Swope
- Julia E. Rice
- et al.
- 2016
- Journal of Physical Chemistry B
Dynamical Interactions of 5-Fluorouracil Drug with Dendritic Peptide Vectors: The Impact of Dendrimer Generation, Charge, Counterions, and Structured Water
- Sergio De Luca
- Prasenjit Seal
- et al.
- 2016
- Journal of Physical Chemistry B
Elucidation of Nonadditive Effects in Protein-Ligand Binding Energies: Thrombin as a Case Study
- Gaetano Calabrò
- Christopher J. Woods
- et al.
- 2016
- Journal of Physical Chemistry B
Toward a Standard Protocol for Micelle Simulation
- Michael Johnston
- William C. Swope
- et al.
- 2016
- Journal of Physical Chemistry B
Potential Interference of Protein-Protein Interactions by Graphyne
- Binquan Luan
- Tien Huynh
- et al.
- 2016
- Journal of Physical Chemistry B
Importance of Hydrophilic Hydration and Intramolecular Interactions in the Thermodynamics of Helix-Coil Transition and Helix-Helix Assembly in a Deca-Alanine Peptide
- Dheeraj S. Tomar
- Valéry Weber
- et al.
- 2015
- Journal of Physical Chemistry B
N-Heterocyclic carbene-catalyzed ring opening polymerization of ε-caprolactone with and without alcohol initiators: Insights from theory and experiment
- Gavin O. Jones
- Young A. Chang
- et al.
- 2015
- Journal of Physical Chemistry B