Works (8)

2014 journal article

Investigating rare events with nonequilibrium work measurements. I. Nonequilibrium transition path probabilities

Journal of Chemical Physics, 140(3).

By: M. Moradi, C. Sagui & C. Roland

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

2014 journal article

Investigating rare events with nonequilibrium work measurements. II. Transition and reaction rates

Journal of Chemical Physics, 140(3).

By: M. Moradi, C. Sagui & C. Roland

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

2012 journal article

Are long-range structural correlations behind the aggregration phenomena of polyglutamine diseases?

PLoS Computational Biology, 8(4).

By: M. Moradi, V. Babin, C. Roland & C. Sagui

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

2011 journal article

Calculating relative transition rates with driven nonequilibrium simulations

Chemical Physics Letters, 518, 109–113.

By: M. Moradi, C. Sagui & C. Roland

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

2010 journal article

A classical molecular dynamics investigation of the free energy and structure of short polyproline conformers

Journal of Chemical Physics, 133(12).

By: M. Moradi, V. Babin, C. Roland & C. Saguia

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

2010 journal article

Free energy and structure of polyproline peptides: An ab initio and classical molecular dynamics investigation

International Journal of Quantum Chemistry, 110(15), 2865–2879.

By: M. Moradi, J. Lee, V. Babin, C. Roland & C. Sagui

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

2009 conference paper

Adaptively biased molecular dynamics: An umbrella sampling method with a time-dependent potential

International Journal of Quantum Chemistry, 109(15), 3666–3678.

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

2009 journal article

Conformations and free energy landscapes of polyproline peptides

Proceedings of the National Academy of Sciences of the United States of America, 106(49), 20746–20751.

By: M. Moradi, V. Babin, C. Roland, T. Darden & C. Sagui

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