A quantum mechanical force field for amidocyano-pyridinium methylide. Force field transferability to the cycloimmonium ylides
β Scribed by Y. Karzazi; G. Vergoten; G. Surpateanu
- Book ID
- 112083104
- Publisher
- John Wiley and Sons
- Year
- 1997
- Weight
- 104 KB
- Volume
- 2
- Category
- Article
- ISSN
- 1082-4928
- DOI
- 10.1002/ejtc.39
No coin nor oath required. For personal study only.
π SIMILAR VOLUMES
## Abstract The transferability of molecular mechanics parameters derived for small model systems to larger biopolymers such as proteins can be difficult to assess. Even for small peptides, molecular dynamics simulations are typically too short to sample structures significantly different than init
A conformational study of the terpolymer of glycine and its retropeptides monomethylendiamine (gGly) and malonyl (mGly) with sequence: (-Gly-gGly-mGly-), is presented. First, we investigated the conformational preferences of the model molecule 2,5,9,11-tetraoxo-3,6,8,12-tetraza-tridecane using quant