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Recent Developments of the Molecular Dynamics Flexible Fitting Method

โœ Scribed by Chan, Kwok Yan; Trabuco, Leonardo G.; Gumbart, James; Schulten, Klaus

Book ID
119206131
Publisher
Biophysical Society
Year
2010
Tongue
English
Weight
56 KB
Volume
98
Category
Article
ISSN
0006-3495

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๐Ÿ“œ SIMILAR VOLUMES

A hybrid method of molecular dynamics an
A hybrid method of molecular dynamics and harmonic dynamics for docking of flexible ligand to flexible receptor
โœ Rie Tatsumi; Yoshifumi Fukunishi; Haruki Nakamura ๐Ÿ“‚ Article ๐Ÿ“… 2004 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 708 KB

## Abstract We have developed a new docking method to consider receptor flexibility, a hybrid method of molecular dynamics and harmonic dynamics. The global motions of the whole receptor were approximately introduced into those of the receptor in the docking simulation as harmonic dynamics. On the