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.
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.
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.
2012 journal article
Are Long-Range Structural Correlations Behind the Aggregration Phenomena of Polyglutamine Diseases?
PLOS COMPUTATIONAL BIOLOGY, 8(4).
2011 journal article
Calculating relative transition rates with driven nonequilibrium simulations
CHEMICAL PHYSICS LETTERS, 518, 109–113.
2010 journal article
A classical molecular dynamics investigation of the free energy and structure of short polyproline conformers
JOURNAL OF CHEMICAL PHYSICS, 133(12).
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.
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.
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.
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