Ab initio prediction of polymorphs
โ Scribed by Frank J.J. Leusen
- Publisher
- Elsevier Science
- Year
- 1996
- Tongue
- English
- Weight
- 284 KB
- Volume
- 166
- Category
- Article
- ISSN
- 0022-0248
No coin nor oath required. For personal study only.
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## Abstract An __ab initio__ method has been developed to predict helix formation for polypeptides. The approach relies on the systematic analysis of overlapping oligopeptides to determine the helical propensity for individual residues. Detailed atomistic level modeling, including entropic contribu
Submissions in the ab initio category included predictions of secondary structure, three-dimensional coordinate sets, modes of oligomerization, and residue and secondary structure segment contact patterns. For secondary structure prediction, four groups showed sustained success according the the cri