Molecular Mechanics: The Conjugate Nitro Group Parameters in the MM2 Force Field
β Scribed by Jean-Philippe Rameau; Jean Devillers
- Book ID
- 106240717
- Publisher
- Springer-Verlag
- Year
- 1996
- Tongue
- English
- Weight
- 226 KB
- Volume
- 3
- Category
- Article
- ISSN
- 1610-2940
No coin nor oath required. For personal study only.
π SIMILAR VOLUMES
## Abstract Tetracycline (Tc) is an important antibiotic, which binds specifically to the ribosome and several proteins, in the form of a Tc^β^:Mg^2+^ complex. To model Tc:protein and Tc:RNA interactions, we have developed a molecular mechanics force field model of Tc, which is consistent with the
A molecular mechanics force field was developed for systems bearing the N -C -0 unit on the basis of 6-31G\* and 4-21G %b initio" calculations with full optimization of the geometry and experimental heats of formation. The parameters used, which implicitly included the anomeric effect, provided good