Name
Abstract | ||
|---|---|---|
Protein design software places amino acid side chains by precomputing rotamer-pair energies and optimizing rotamer placement. If the software optimizes by rapid stochastic techniques, then the precomputation phase dominates run time. We present a new algorithm for rapid rotamer-pair energy computation that uses a trie data structure. The trie structure avoids redundant energy computations, and lends itself to time-saving pruning techniques based on a simple geometric criteria. With our new algorithm, we compute rotamer-pair energies nearly 4 times faster than the previous approach. |
Year | DOI | Venue |
|---|---|---|
2005 | 10.1007/11557067_32 | WABI |
Keywords | Field | DocType |
trie data structure,software optimizes,protein design software,rotamer-pair energy,rotamer-pair energy calculation,trie structure,rapid rotamer-pair energy computation,new algorithm,redundant energy computation,rapid stochastic technique,amino acid side chain,amino acid,data structure,protein design | Data structure,Conformational isomerism,Precomputation,Computer science,Algorithm,Redundancy (engineering),Software,Bioinformatics,Trie,Software development,Computation | Conference |
Volume | ISSN | ISBN |
3692 | 0302-9743 | 3-540-29008-7 |
Citations | PageRank | References |
3 | 0.52 | 6 |
Authors | ||
3 | ||
Name | Order | Citations | PageRank |
|---|---|---|---|
| Andrew Leaver-Fay | 1 | 374 | 28.70 |
| Brian Kuhlman | 2 | 3 | 0.52 |
| Jack Snoeyink | 3 | 2842 | 231.68 |