Mahmoud Moradi

Works (9)

Updated: August 19th, 2023 21:16
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2023 article

Addressing the Embeddability Problem in Transition Rate Estimation

Goolsby, C., Losey, J., Fakharzadeh, A., Xu, Y., Duker, M.-C., Sherman, M. G., … Moradi, M. (2023, June 28). JOURNAL OF PHYSICAL CHEMISTRY A.

By: C. Goolsby*, J. Losey*, A. Fakharzadeh n, Y. Xu *, M. Duker*, M. Sherman*, D. Matteson *, M. Moradi*

Source: Web Of Science
Added: July 19, 2023

2014 article

Investigating rare events with nonequilibrium work measurements. I. Nonequilibrium transition path probabilities (vol 140, 034114, 2014)

Moradi, M., Sagui, C., & Roland, C. (2014, February 14). JOURNAL OF CHEMICAL PHYSICS, Vol. 140.

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

Source: Web Of Science
Added: August 6, 2018

2014 article

Investigating rare events with nonequilibrium work measurements. II. Transition and reaction rates (vol 140, 034115, 2014)

Moradi, M., Sagui, C., & Roland, C. (2014, February 14). JOURNAL OF CHEMICAL PHYSICS, Vol. 140.

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

Source: Web Of Science
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  n

MeSH headings : Amino Acid Sequence; Animals; Computer Simulation; Humans; Models, Chemical; Models, Molecular; Molecular Sequence Data; Neurodegenerative Diseases / metabolism; Peptides / chemistry; Peptides / metabolism; Protein Conformation; Statistics as Topic
Source: Web Of Science
Added: August 6, 2018

2011 journal article

Calculating relative transition rates with driven nonequilibrium simulations

CHEMICAL PHYSICS LETTERS, 518, 109–113.

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

Source: Web Of Science
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 n, V. Babin n, C. Roland n & C. Sagui n

MeSH headings : Molecular Dynamics Simulation; Peptides / chemistry; Phase Transition; Protein Conformation; Thermodynamics
Source: Web Of Science
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 article

Adaptively Biased Molecular Dynamics: An Umbrella Sampling Method With a Time-Dependent Potential

Babin, V., Karpusenka, V., Moradi, M., Roland, C., & Sagui, C. (2009, December). INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, Vol. 109, pp. 3666–3678.

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

author keywords: free energy; nonequilibrium; simulation
Source: Web Of Science
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 n, V. Babin n, C. Roland n, T. Darden & C. Sagui n

author keywords: cis-trans isomerization; left-handed helix; molecular dynamics; PPI; PPII
MeSH headings : Peptides / chemistry; Protein Conformation; Thermodynamics
Source: Web Of Science
Added: August 6, 2018