Tag Results

Items tagged with "nimrod" (2)

Note: some items may not be visible to you, due to viewing permissions.


Workflows (2)

Workflow group difference pseudopotential (1)

Thumb
This is a Nimrod plan file for a parameter scan of a group difference pseudopotential (GDP). This is the initial step in "paremeterization of a capping atom for hybrid quantum mechanics-molecule mechanics (QM/MM) calculations." Based on paper by Sudholt, W., Baldridge, K., Abramson, D., Enticott, C. and Garic, S., “Application of Grid computing to parameter sweeps and optimizations in molecular modeling”, Future Generation Computer Systems, 21 (2005), 27-35. Also appeare...

Created: 2009-05-14 | Last updated: 2009-05-16

Workflow Automatic Protein-Ligand Docking (1)

Thumb
Nimrod harnesses grid-based high-performance computing resources to evaluate a n umber of protein-ligand interaction algorithms. Different computational chemistry approaches are combined with non-linear optimization algorithms. This work is explained in Abramson, D. A., Amoreira, C., Baldridge, K. K., Berstis, L., Kondrick, C., Peachey, T. C., 2006, "A flexible grid framework for automatic protein-ligand docking", Proceedings of the Second IEEE International Conference on e-Science...

Created: 2009-05-15 | Last updated: 2009-05-16

Credits: User Jeffersontan

What is this?

Linked Data

Non-Information Resource URI: https://www.myexperiment.org/tags/1265


Alternative Formats

HTML
RDF
XML