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Molecular dynamics simulation of the induced-fit binding process of DNA aptamer and L-argininamide

✍ Scribed by Po-Hsun Lin; Ching-Wei Tsai; Josephine W. Wu; Ruoh-Chyu Ruaan; Dr. Wen-Yih Chen


Book ID
112012650
Publisher
John Wiley and Sons
Year
2012
Tongue
English
Weight
802 KB
Volume
7
Category
Article
ISSN
1860-6768

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Molecular dynamics simulations of human
✍ Lorenzo Stella; Maria Nicotra; Giorgio Ricci; Nicola Rosato; Ernesto E. Di Iorio πŸ“‚ Article πŸ“… 1999 πŸ› John Wiley and Sons 🌐 English βš– 267 KB

We report here a 1-ns molecular dynamics simulation on the ligand-free monomer of human glutathione transferase P1-1 in bulk water. The average conformation obtained from the last 500 ps of simulation is taken as a model for the apo-structure of this protein and compared to the available crystallogr