𝔖 Bobbio Scriptorium
✦   LIBER   ✦

An improved generalized AMBER force field (GAFF) for urea

✍ Scribed by Gül Altınbaş Özpınar; Wolfgang Peukert; Timothy Clark

Book ID
106240224
Publisher
Springer-Verlag
Year
2010
Tongue
English
Weight
923 KB
Volume
16
Category
Article
ISSN
1610-2940

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

An improved OPLS–AA force field for carb
An improved OPLS–AA force field for carbohydrates
✍ D. Kony; W. Damm; S. Stoll; W. F. Van Gunsteren 📂 Article 📅 2002 🏛 John Wiley and Sons 🌐 English ⚖ 287 KB

## Abstract This work describes an improved version of the original OPLS–all atom (OPLS–AA) force field for carbohydrates (Damm et al., J Comp Chem 1997, 18, 1955). The improvement is achieved by applying additional scaling factors for the electrostatic interactions between 1,5‐ and 1,6‐interaction

An improved force field for conformation
An improved force field for conformational analysis of sulfated polysaccharides
✍ Ferro, Dino R.; Pumilia, Paolo; Ragazzi, Massimo 📂 Article 📅 1997 🏛 John Wiley and Sons 🌐 English ⚖ 344 KB 👁 2 views

A force field to be used in molecular mechanics studies of sulfated polysaccharides with explicit account of water and counterion interactions was derived from the analysis of six crystal structures of sulfated monosaccharide salts. The force field is based on Allinger's MM2, and was developed start