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Details for article 8 of 25 found articles
| Title: |
Comparing Bound and Unbound Protein Structures Using Energy Calculation and Rotamer Statistics |
| Author: |
Koch, Kerstin Zöllner, Frank Neumann, Steffen Kummert, Franz Sagerer, Gerhard |
| Appeared in: |
In silico biology |
| Paging: | Volume 2 (2002) nr. 3 pages 351-368 |
| Year: |
2002-12-28 |
| Contents: |
Protein data in the PDB covers only a snapshot of a protein structure. For flexible docking conformational changes need to be considered. Rotamer statistics provide the likelihood for side chain conformations, and further comparison of bound and unbound state yields differences in preferred positions. Furthermore, we do a full sampling of selected χ angles and apply the AMBER force field. Conformation of energy minima complies with the rotamer statistics. Both types of information target the reduction of search space for enumerative docking algorithms and provide parameters for elastic docking. |
| Publisher: |
IOS Press |
| Source file: |
Elektronische Wetenschappelijke Tijdschriften |
Details for article 8 of 25 found articles
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