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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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2013
1.

K. Nienhaus; S. Lutz; M. Meuwly; G. U. Nienhaus

Reaction Pathway Selection in the Structural Dynamics of a Heme Protein Journal Article

In: Chem. Eur. J., vol. 19, pp. 3558, 2013.

BibTeX | Tags: Heme Protein, Reaction Pathway Selection, Structural Dynamics