๐”– Bobbio Scriptorium
โœฆ   LIBER   โœฆ

Development and use of quantum mechanical molecular models. 76. AM1: a new general purpose quantum mechanical molecular model

โœ Scribed by Dewar, Michael J. S.; Zoebisch, Eve G.; Healy, Eamonn F.; Stewart, James J. P.


Book ID
120087255
Publisher
American Chemical Society
Year
1985
Tongue
English
Weight
987 KB
Volume
107
Category
Article
ISSN
0002-7863

No coin nor oath required. For personal study only.


๐Ÿ“œ SIMILAR VOLUMES


Modeling of inhibitorโ€“metalloenzyme inte
โœ David R. Garmer; Nohad Gresh; Bernard-Pierre Roques ๐Ÿ“‚ Article ๐Ÿ“… 1998 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 365 KB ๐Ÿ‘ 1 views

We investigated the binding properties of the metalloprotease inhibitors hydroxamate, methanethiolate, and methylphosphoramidate to a model coordination site occurring in several Zn2ุ‰ metalloproteases, including thermolysin. This was carried out using both the SIBFA (sum of interactions between frag

Quantum Mechanics and Molecular Dynamics
โœ F. E. Walker ๐Ÿ“‚ Article ๐Ÿ“… 1982 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 715 KB

## Abstract The contrast between a hydrodynamic model for shock initiation of explosives and a newer microscopic freeโ€radical model is presented. The primary considerations of the freeโ€radical model are that shock energy is very coherent and that it is strong enough to cause mechanical fracture of