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Atomistic Simulations Computational Vibrational Spectroscopy Condensed Phase Simulations Force fields Hemoglobin Hypersonics machine learning Molecular Dynamics Molecular Simulation Multipolar Force Fields Myoglobin Nitric Oxide potential energy surfaces Proton Transfer Reactive Molecular Dynamics RKHS Spectroscopy truncated Hemoglobin vibrational relaxation Vibrational Spectroscopy

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2017
1.

P. Diamantis; O. T. Unke; M. Meuwly

Migration of Small Ligands in Globins: Xe Diffusion in Truncated Hemoglobin N Journal Article

In: PLoS Comp. Biol., vol. 13, pp. e1005450, 2017.

BibTeX | Tags: Globins, Ligand Migration, truncated Hemoglobin