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Stuart, Steven
One or more keywords matched the following items that are connected to Stuart, Steven
Item TypeName
Concept Molecular Dynamics Simulation
Academic Article Molecular dynamics simulations of peptide-surface interactions.
Academic Article Molecular dynamics simulations on the effects of diameter and chirality on hydrogen adsorption in single walled carbon nanotubes.
Academic Article Molecular dynamics simulations on hydrogen adsorption in finite single walled carbon nanotube bundles.
Academic Article Calculation of adsorption free energy for solute-surface interactions using biased replica-exchange molecular dynamics.
Academic Article Assessment of the transferability of a protein force field for the simulation of peptide-surface interactions.
Academic Article Development of molecular simulation methods to accurately represent protein-surface interactions: The effect of pressure and its determination for a system with constrained atoms.
Academic Article Comparison between empirical protein force fields for the simulation of the adsorption behavior of structured LK peptides on functionalized surfaces.
Academic Article Polarizable molecular dynamics simulations of aqueous dipeptides.
Academic Article Simulation of multiphase systems utilizing independent force fields to control intraphase and interphase behavior.
Academic Article Parameterization of an interfacial force field for accurate representation of peptide adsorption free energy on high-density polyethylene.
Academic Article TIGER2 with solvent energy averaging (TIGER2A): An accelerated sampling method for large molecular systems with explicit representation of solvent.
Academic Article Cluster analysis of molecular simulation trajectories for systems where both conformation and orientation of the sampled states are important.
Academic Article Application of advanced sampling and analysis methods to predict the structure of adsorbed protein on a material surface.
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  • Molecular Dynamics Simulation