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Here we report the development, incorporation in to the Rosetta macromolecular modeling suite, and validation of rotamer libraries for β3-amino acids.
This turbulence model is part of a unified annular flow modeling suite that includes methods to predict the entrained liquid fraction and the axial frictional pressure gradient.
Fleishman SJ, Leaver-Fay A, Corn JE, Strauch EM, Khare SD, Koga N, Ashworth J, Murphy P, Richter F, Lemmon G, Meiler J, Baker D. (2011) RosettaScripts: a scripting language interface to the Rosetta macromolecular modeling suite.
For demonstration purposes, the approach was applied to results from a transport and emission modeling suite, which was designed to quantify the present-day and possible future transport activities in Germany and the resulting emissions.
OO-IDLAMS is a prototype conservation modeling suite that provides military environmental managers and decision-makers with a strategic, integrated and adaptive approach to natural resources planning and ecosystem management.
The Reaction Modeling Suite (RMS; U.S. patent pending) is a set of tools based on artificial intelligence and optimization techniques that enables the expert to initiate the kinetic modeling sequence in a simple reaction chemistry language.
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Primarily due to the massive increase in modeling time scales it affords, the MORFAC approach is now standard in state-of-the-art commercially available coastal morphodynamic modeling suites.
The second approach used models that were generated using the Phyre2 and I-TASSER online modeling suites.
Here, we present a methodology, Eris, to efficiently and accurately compute the stability changes of proteins upon mutations using our protein-modeling suite, Medusa.
A high-resolution wave model suite, aimed at establishing nearshore wave hindcasts, is described and evaluated.
Using this model suite and focusing over Europe, we compare future air quality simulations covering 2 °C and 3 °C warming periods (see Table 1) with air quality in a reference climate period (1971 2000).
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