Algorithmic Enhancements to the Solvaware Package for the Analysis of Hydration
| Main Authors: | Proeme, Arno, Huggins, David |
|---|---|
| Format: | Report |
| Bahasa: | eng |
| Terbitan: |
, 2016
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| Subjects: | |
| Online Access: |
https://zenodo.org/record/1316927 |
Daftar Isi:
- This report details the work undertaken as part of ARCHER eCSE project 03-03 to port, optimise, and enhance the Solvaware software package for the analysis of solvation (hydration) in biomolecular systems. Each planned work package is reported against and results as well as a technical discussion are presented.
- This work was funded under the embedded CSE programme of the ARCHER UK National Supercomputing Service (http://www.archer.ac.uk)