𝔖 Bobbio Scriptorium
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Simulation of conformational changes in 2 Zn insulin

✍ Scribed by Shoshana J. Wodak; Philippe Alard; Philippe Delhaise; Claire Renneboog-Squilbin

Book ID
118918625
Publisher
Elsevier Science
Year
1985
Tongue
English
Weight
635 KB
Volume
181
Category
Article
ISSN
0022-2836

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πŸ“œ SIMILAR VOLUMES

Transmission of conformational change in
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✍ Chothia, Cyrus; Lesk, Arthur M.; Dodson, Guy G.; Hodgkin, Dorothy C. πŸ“‚ Article πŸ“… 1983 πŸ› Nature Publishing Group 🌐 English βš– 685 KB
Molecular dynamics simulation of conform
Molecular dynamics simulation of conformational changes in gas-phase RDX
✍ Eric P. Wallis; Donald L. Thompson πŸ“‚ Article πŸ“… 1992 πŸ› Elsevier Science 🌐 English βš– 696 KB

Molecular dynamics simulations are used to study the flexibility of hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX). A potentiaienergy surface was constructed using spectroscopic and theoretical data. The activation barrier for the boat-to-twist-boat pseudorotation is calculated to be 0.8 kcal mol-I.