## Abstract Various quantum mechanical/molecular mechanical (QM/MM) geometry optimizations starting from an xโray crystal structure and from the snapshot structures of constrained molecular dynamics (MD) simulations have been performed to characterize two dynamically stable active site structures o
Mechanism of CDK5 activation revealed by steered molecular dynamics simulations and energy calculations
โ Scribed by Bing Zhang; Zhou Cheng Su; Tong Earn Tay; Vincent B. C. Tan
- Publisher
- Springer-Verlag
- Year
- 2009
- Tongue
- English
- Weight
- 589 KB
- Volume
- 16
- Category
- Article
- ISSN
- 1610-2940
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