| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5380352 | Chemical Physics Letters | 2015 | 6 Pages |
Abstract
- ABEEMÏÏ PFF can search out all the conformations of Val-polypeptides as B3LYP does.
- The total energies of Val-polypeptides from ABEEMÏÏ PFF are close to those of MP2.
- The results of ABEEMÏÏ PFF are much better than those of the usual FF.
- Polarization effect is important in conformational analysis.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Shuang Xu, Dong-xia Zhao, Li-dong Gong, Cui Liu, Zhong-Zhi Yang,