𝔖 Bobbio Scriptorium
✦   LIBER   ✦

A quantum mechanical force field for amidocyano-pyridinium methylide. Force field transferability to the cycloimmonium ylides

✍ 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

No coin nor oath required. For personal study only.


πŸ“œ SIMILAR VOLUMES


Using PC clusters to evaluate the transf
✍ Asim Okur; Bentley Strockbine; Viktor Hornak; Carlos Simmerling πŸ“‚ Article πŸ“… 2002 πŸ› John Wiley and Sons 🌐 English βš– 303 KB

## 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

Chain conformation in polyretropeptides.
✍ Carlos AlemΓ‘n; Jordi PuiggalΓ­ πŸ“‚ Article πŸ“… 1996 πŸ› John Wiley and Sons 🌐 English βš– 885 KB

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