Publications

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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

2015

2.

P. A. Cazade; G. Berezovska; M. Meuwly

Coupled Protein-Ligand Dynamics in Truncated Hemoglobin N from Atomistic Simulations and Transition Networks Journal Article

In: BBA - General Subjects, vol. 1850, pp. 996-1005, 2015.

BibTeX | Tags: Atomistic Simulations, Protein Dynamics, Transition Networks, truncated Hemoglobin

3.

P. A. Cazade; W. Zhang; D. Prada-Gracia; G. Berezovska; F. Rao; C. Clementi; M. Meuwly

A Comparative Analysis of Clustering Algorithms: O2 Migration in Truncated Hemoglobin I from Transition Networks Journal Article

In: J. Chem. Phys., vol. 142, pp. 025103, 2015.

BibTeX | Tags: Clustering Algorithms, Oxygen Migration, Transition Networks, truncated Hemoglobin

2012

4.

P. A. Cazade; M. Meuwly

Oxygen Migration Pathways in NO-Bound Truncated Hemoglobin (TrHbN) Journal Article

In: Chem. Phys. Chem., vol. 13, pp. 4276, 2012.

BibTeX | Tags: NO, Oxygen Migration, TrHbN, truncated Hemoglobin

2010

5.

S. Mishra; M. Meuwly

Atomistic Simulation of NO Dioxygenation in Group I Truncated Hemoglobin Journal Article

In: J. Am. Chem. Soc., vol. 132, pp. 2968, 2010.

BibTeX | Tags: Atomistic Simulations, NO Dioxygenation, truncated Hemoglobin

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