Molecular dynamics simulation of a membrane protein in a lipid bilayer on a parallel computer
β Scribed by Helmut Heller
- Publisher
- Elsevier Science
- Year
- 1994
- Tongue
- English
- Weight
- 788 KB
- Volume
- 12
- Category
- Article
- ISSN
- 0263-7855
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π SIMILAR VOLUMES
a The 10-ps configuration of each trajectory was used as the initial configuration. The system was simulated for 5 ps using a ( ) microcanonical ensemble with various time steps. Then, the RMSF E and the computation time was examined. r tot b ( ) Hard forces H : bond, angle, and torsion. c ( ) Mediu
The 2H-NMR spectra of selectively deuterated cholesterol, intercalated in egg phosphatidylcholine, were examined. The orientation of the axis of motional averaging was calculated using the observed quadrupole splittings and the atomic coordinates. With the known orientation of the rotation axis, qua