Publications

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2019

1.

P. Diamantis; K. El Hage; M. Meuwly

Effect of Single-Point Mutations on Nitric Oxide Rebinding and the Thermodynamic Stability of Myoglobin Journal Article

In: J. Phys. Chem. B, vol. 123, pp. 1961-1972, 2019.

BibTeX | Tags: Myoglobin, Nitric Oxide, Single-Point Mutations, Thermodynamic Stability

2018

2.

P. Mondal; M. Meuwly

Solvent Composition Drives the Rebinding Kinetics of Nitric Oxide to Microperoxidase Journal Article

In: Sci. Rep., vol. 8, pp. 5281, 2018.

BibTeX | Tags: Microperoxidase, Nitric Oxide, Rebinding Kinetics

3.

A. K. Das; M. Meuwly

Kinetics and Structural Interpretation of Competitive Ligand Binding for NO Dioxygenation in Truncated Hemoglobin N Journal Article

In: Angew. Chem. Int. Ed., vol. 57, pp. 3509, 2018.

BibTeX | Tags: Competitive Ligand Binding, Dioxygenation, Hemoglobin, Kinetics, Nitric Oxide

2015

4.

M. Soloviov; M. Meuwly

Reproducing Kernel Potential Energy Surfaces in Biomolecular Simulations: Nitric Oxide Binding to Myoglobin Journal Article

In: J. Chem. Phys., vol. 143, pp. 105103, 2015.

BibTeX | Tags: Biomolecular Simulations, Myoglobin, Nitric Oxide, potential energy surfaces, reproducing kernel

2012

5.

M. W. Lee; M. Meuwly

Molecular Dynamics Simulation of Nitric Oxide in Myoglobin Journal Article

In: J. Phys. Chem. B, vol. 116, pp. 4154, 2012.

BibTeX | Tags: Molecular Dynamics, Molecular Simulation, Myoglobin, Nitric Oxide

2009

6.

S. Mishra; M. Meuwly

Nitric Oxide Dynamics in Truncated Hemoglobin: Docking Sites, Migration Pathways, and Vibrational Spectroscopy from Molecular Dynamics Simulations Journal Article

In: Biophys. J., vol. 96, pp. 2105, 2009.

BibTeX | Tags: Migration Pathways, Molecular Dynamics Simulations, Nitric Oxide, truncated Hemoglobin, Vibrational Spectroscopy