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Computer Sciences Commons

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Numerical Analysis and Scientific Computing

Holland Computing Center: Faculty Publications

2014

Articles 1 - 4 of 4

Full-Text Articles in Computer Sciences

Boscor: Extending R From The Desktop To The Grid, Derek J. Weitzel, Jaime Frey, Marco Mambelli, Dan Fraser, Miha Ahronovitz, David Swanson Nov 2014

Boscor: Extending R From The Desktop To The Grid, Derek J. Weitzel, Jaime Frey, Marco Mambelli, Dan Fraser, Miha Ahronovitz, David Swanson

Holland Computing Center: Faculty Publications

In this paper, we describe a framework to execute R functions on remote resources from the desktop using Bosco. The R language is attractive to researchers because of its high level programming constructs which lower the barrier of entry for use. As the use of the R programming language in HPC and High Throughput Computing (HTC) has grown, so too has the need for parallel libraries in order to utilize computing resources.

Bosco is middleware that uses common protocols to manage job submissions to a variety of remote computational platforms and resources. The researcher is able to control and monitor …


Designs Of Fullerene-Based Frameworks For Hydrogen Storage, Yi Gao, Xiaojun Wu, Xiao Cheng Zeng Jan 2014

Designs Of Fullerene-Based Frameworks For Hydrogen Storage, Yi Gao, Xiaojun Wu, Xiao Cheng Zeng

Holland Computing Center: Faculty Publications

No abstract provided.


Designs Of Fullerene-Based Frameworks For Hydrogen Storage, Yi Gao, Xiaojun Wu, Xiao Cheng Zeng Jan 2014

Designs Of Fullerene-Based Frameworks For Hydrogen Storage, Yi Gao, Xiaojun Wu, Xiao Cheng Zeng

Holland Computing Center: Faculty Publications

No abstract provided.


Functional Evolution Of Plp-Dependent Enzymes Based On Active-Site Structural Similarities, Jonathan Catazaro, Adam Caprez, Ashu Guru, David Swanson, Robert Powers Jan 2014

Functional Evolution Of Plp-Dependent Enzymes Based On Active-Site Structural Similarities, Jonathan Catazaro, Adam Caprez, Ashu Guru, David Swanson, Robert Powers

Holland Computing Center: Faculty Publications

Families of distantly related proteins typically have very low sequence identity, which hinders evolutionary analysis and functional annotation. Slowly evolving features of proteins, such as an active site, are therefore valuable for annotating putative and distantly related proteins. To date, a complete evolutionary analysis of the functional relationship of an entire enzyme family based on active-site structural similarities has not yet been undertaken. Pyridoxal-5’-phosphate (PLP) dependent enzymes are primordial enzymes that diversified in the last universal ancestor. Using the Comparison of Protein Active Site Structures (CPASS) software and database, we show that the active site structures of PLP-dependent enzymes can …