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 ...

Source: NC State University Libraries
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

Source: NC State University Libraries
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

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

2015 journal article

Enzymatic mechanism of copper-containing nitrite reductase

Biochemistry, 54(5), 1233–1242.

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

Source: NC State University Libraries
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

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

2009 journal article

Functional implications of multistage copper binding to the prion protein

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

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

Source: NC State University Libraries
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, Condensed Matter and Materials Physics, 76(8).

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

Source: NC State University Libraries
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, Condensed Matter and Materials Physics, 68(8).

By: M. Hodak & L. Girifalco

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