Kim, Seonah; Roitberg, Adrian E.. Simulating Temperature Jumps for Protein Folding Journal of Physical Chemistry B, 2008-01-15 Abstract: We present a new computational methodology aimed to calculate the thermodynamics and kinetics of peptide folding. We focus in particular on temperature… Read More
Hydrologic modeling, uncertainty, and sensitivity in the Okavango Basin: Insights for scenario assessment
Linhoss, A.C., R. Muñoz-Carpena, G. Kiker, D. Hughes. Hydrologic modeling, uncertainty, and sensitivity in the Okavango Basin: Insights for scenario assessment Journal of Hydrologic Engineering., 2012-12-12 Abstract: The development of watershed models with minimal quantified uncertainty under non-stationary conditions is… Read More
Shorebird patches as fingerprints of fractal coastline fluctuations due to climate change
Convertino, M., A. Bockelie, G.A Kiker, R. Muñoz-Carpena and I. Linkov. Shorebird patches as fingerprints of fractal coastline fluctuations due to climate change 2012. Ecological Processes 1:9, 2012-10-30 Abstract: The Florida coast is one of the most species-rich ecosystems in… Read More
Crown Complexation of Protonated Amino Acids: Influence on IRMPD Spectra
Corey N. Stedwell, Johan F. Galindo, Kerim Gulyuz, Adrian E. Roitberg and Nicolas C. Polfer . Crown Complexation of Protonated Amino Acids: Influence on IRMPD Spectra J. Phys. Chem. A, Article ASAP, 2012-08-14 Abstract: We report infrared multiple photon dissociation… Read More
Adenine Formation without HCN
Kenneth M. Merz Jr., Eduardo C. Aguiar and Joao Bosco P. da Silva. Adenine Formation without HCN J. Phys. Chem. A 2014, 118, 3637-3644., 2014-05-05 Abstract: From a historic point of view adenine was always presumed to be the product… Read More
Discovery of the {beta}-barrel-type RNA methyltransferase responsible for N6-methylation of N6-threonylcarbamoyladenosine in tRNAs
Satoshi Kimura; Kenjyo Miyauchi; Yoshiho Ikeuchi; Patrick C. Thiaville; Valerie de Crecy-Lagard; Tsutomu Suzuki. Discovery of the {beta}-barrel-type RNA methyltransferase responsible for N6-methylation of N6-threonylcarbamoyladenosine in tRNAs Nucleic Acids Research, 2014-07-24 Abstract: Methylation is a versatile reaction involved in the… Read More
Validation and Time Step Determination of Discrete Element Modeling of Flexible Fibers
Y. Guo, C. Wassgren, B. Hancock, W. Ketterhagen, J. Curtis. Validation and Time Step Determination of Discrete Element Modeling of Flexible Fibers Powder Technology, 2013-11-01 Abstract: In this paper, a flexible fiber model, based on the Discrete Element Method (DEM)… Read More
Granular shear flows of flat disks and elongated rods with and without friction
Y. Guo, C. Wassgren, B. Hancock, W. Ketterhagen, J. Curtis. Granular shear flows of flat disks and elongated rods with and without friction Physics of Fluids, 2013-05-01 Abstract: Granular shear flows of flat disks and elongated rods are simulated using… Read More
A numerical study of granular shear flows of rod-like particles using the discrete element method
Y. Guo, C. Wassgren, W. Ketterhagen, B. Hancock, B. James, J. Curtis. A numerical study of granular shear flows of rod-like particles using the discrete element method Journal of Fluid Mechanics, 2012-12-01 Abstract: The effect of particle aspect ratio and… Read More
Some computational considerations associated with discrete element modelling of cylindrical particles
Y. Guo, C. Wassgren, W. Ketterhagen, B. Hancock, J. Curtis. Some computational considerations associated with discrete element modelling of cylindrical particles Powder Technology, 2012-09-01 Abstract: In this short communication, an efficient coarse contact detection scheme for large aspect ratio particles… Read More