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Insights into scFv:drug binding using the molecular dynamics simulation and free energy calculation

✍ Scribed by Guodong Hu; Qinggang Zhang; L. Y. Chen


Publisher
Springer-Verlag
Year
2010
Tongue
English
Weight
572 KB
Volume
17
Category
Article
ISSN
1610-2940

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πŸ“œ SIMILAR VOLUMES


Molecular dynamics simulations and free
✍ Stephanie B. A. De Beer; Alice GlΓ„ttli; Johannes Hutzler; Nico P. E. Vermeulen; πŸ“‚ Article πŸ“… 2011 πŸ› John Wiley and Sons 🌐 English βš– 382 KB

## Abstract 4‐Hydroxyphenylpyruvate dioxygenase is a relevant target in both pharmaceutical and agricultural research. We report on molecular dynamics simulations and free energy calculations on this enzyme, in complex with 12 inhibitors for which experimental affinities were determined. We applied