𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Combined Quantum and Molecular Mechanical Study of DNA Crosslinking by Nitrous Acid

✍ Scribed by Elcock, Adrian H.; Lyne, Paul D.; Mulholland, Adrian J.; Nandra, Ankush; Richards, W. Graham


Book ID
121272805
Publisher
American Chemical Society
Year
1995
Tongue
English
Weight
703 KB
Volume
117
Category
Article
ISSN
0002-7863

No coin nor oath required. For personal study only.


πŸ“œ SIMILAR VOLUMES


Combined molecular mechanical and quantu
✍ Haiyan Liu; Yunyu Shi πŸ“‚ Article πŸ“… 1994 πŸ› John Wiley and Sons 🌐 English βš– 658 KB

The procedure of combined semiempirical quantum mechanical (AM11 and molecular mechanical potential7 was used to study the nucleophilic addition of hydroxide to formaldehyde in solution. The gas phase AM1 potential surface is approximately 26 kcal/mol more exothermic than the corresponding ab initio

Dynamic structures of phosphodiesterase-
✍ Ying Xiong; Hai-Ting Lu; Chang-Guo Zhan πŸ“‚ Article πŸ“… 2008 πŸ› John Wiley and Sons 🌐 English βš– 511 KB

## Abstract Various quantum mechanical/molecular mechanical (QM/MM) geometry optimizations starting from an x‐ray 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