Works (11)

2017 journal article

Binding of Copper and Cisplatin to Atox1 Is Mediated by Glutathione through the Formation of Metal–Sulfur Clusters

Biochemistry, 56(24), 3129–3141.

By: N. Dolgova*, C. Yu*, J. Cvitkovic*, M. Hodak, K. Nienaber*, K. Summers*, J. Cotelesage*, J. Bernholc n ...

Sources: Web Of Science, ORCID, Crossref
Added: August 6, 2018

2017 journal article

Selective sensing of ethylene and glucose using carbon-nanotube-based sensors: an ab initio investigation

Nanoscale, 9(4), 1687–1698.

By: Y. Li, M. Hodak, W. Lu & J. Bernholc

Sources: Web Of Science, Crossref, ORCID
Added: August 6, 2018

2016 journal article

Mechanisms of NH3 and NO2 detection in carbon-nanotube-based sensors: An ab initio investigation

Carbon, 101, 177–183.

By: Y. Li, M. Hodak, W. Lu & J. Bernholc

Sources: NC State University Libraries, Crossref, ORCID
Added: August 6, 2018

2015 journal article

Enzymatic Mechanism of Copper-Containing Nitrite Reductase

Biochemistry, 54(5), 1233–1242.

By: Y. Li n, M. Hodak & J. Bernholc

Sources: Web Of Science, Crossref, ORCID
Added: August 6, 2018

2011 journal article

Mechanism of copper(II)-induced misfolding of Parkinson's disease protein

Scientific Reports, 1.

By: F. Rose, M. Hodak & J. Bernholc

Source: NC State University Libraries
Added: August 6, 2018

2010 journal article

Insights into prion protein function from atomistic simulations

PRION, 4(1), 13–19.

By: M. Hodak & J. Bernholc n

author keywords: prion; PrP; copper; attachment; function; ab initio; DFT
Sources: Web Of Science, ORCID
Added: August 6, 2018

2009 journal article

Functional implications of multistage copper binding to the prion protein

Proceedings of the National Academy of Sciences, 106(28), 11576–11581.

By: M. Hodak, R. Chisnell, W. Lu & J. Bernholc

author keywords: copper attachment; hybrid DFT; misfolding; neurodegenerative diseases; metalloprotein
Sources: Web Of Science, Crossref, ORCID
Added: August 6, 2018

2008 journal article

Hybrid ab initio Kohn-Sham density functional theory/frozen-density orbital-free density functional theory simulation method suitable for biological systems

Journal of Chemical Physics, 128(1).

By: M. Hodak, W. Lu & J. Bernholc

Source: NC State University Libraries
Added: August 6, 2018

2008 journal article

Recent developments and applications of the real-space multigrid method

Journal of Physics. Condensed Matter, 20(29).

By: J. Bernholc, M. Hodak & W. Lu

Source: NC State University Libraries
Added: August 6, 2018

2007 journal article

Implementation of ultrasoft pseudopotentials in large-scale grid-based electronic structure calculations

PHYSICAL REVIEW B, 76(8).

By: M. Hodak, S. Wang, W. Lu & J. Bernholc

Sources: Web Of Science, ORCID
Added: August 6, 2018

2003 journal article

Systems of C-60 molecules inside (10,10) and (15,15) nanotube: A Monte Carlo study

PHYSICAL REVIEW B, 68(8).

By: M. Hodak & L. Girifalco*

Source: Web Of Science
Added: August 6, 2018