| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5382776 | Chemical Physics Letters | 2012 | 5 Pages |
Abstract
⺠MD-SAXS method offers a link between SAXS data and atomic structures of proteins. ⺠The MD-SAXS method was previously limited to spherical condition. ⺠We extend the method to nonspherical boundary conditions while retaining accuracy. ⺠The new method can eliminate a number of water molecules in the simulation. ⺠The method is computationally effective, particularly for elongated proteins.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Tomotaka Oroguchi, Mitsunori Ikeguchi,