Name
Title | ||
|---|---|---|
Solution Structure of Taxol Determined Using a Novel Feedback-Scaling Procedure for Noe-Restrained Molecular Dynamics. |
Abstract | ||
|---|---|---|
The increasing availability of high-performance com puters makes it possible to treat larger systems in shorter computing times. However, a more challeng ing aspect of the availability of larger and faster com puters is the exploration of alternative algorithms. This is especially important in view of new computer archi tectures. In this work we describe a novel technique for feedback-scaling individual NOE distance restraints during molecular-dynamics-simulated annealing ex periments. |
Year | DOI | Venue |
|---|---|---|
1994 | 10.1177/109434209400800104 | IJHPCA |
Keywords | Field | DocType |
noe-restrained molecular dynamic,solution structure,molecular dynamic | Supercomputer,Computer science,Parallel computing,Molecular dynamics,Scaling | Journal |
Volume | Issue | ISSN |
8 | 1 | 1078-3482 |
Citations | PageRank | References |
0 | 0.34 | 1 |
Authors | ||
7 | ||
Name | Order | Citations | PageRank |
|---|---|---|---|
| Raul E. Cachau | 1 | 8 | 1.90 |
| Rick Gussio | 2 | 1 | 1.50 |
| John A. Beutler | 3 | 0 | 0.34 |
| Gwendolyn N. Chmurny | 4 | 0 | 0.34 |
| Bruce D. Hilton | 5 | 0 | 0.34 |
| Gary M. Muschik | 6 | 0 | 0.34 |
| John W. Erickson | 7 | 0 | 0.34 |