## Abstract This work describes an improved version of the original OPLSโall atom (OPLSโAA) 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 1,5โ and 1,6โinteraction
An improved torsional force field for cis-enol malonaldehyde
โ Scribed by Kurokawa, Yoshihiko; Kojima, Hidekazu; Yamada, Atsushi; Okazaki, Susumu
- Book ID
- 111901093
- Publisher
- Taylor and Francis Group
- Year
- 2012
- Tongue
- English
- Weight
- 184 KB
- Volume
- 38
- Category
- Article
- ISSN
- 0892-7022
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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
## Abstract Over the past decades, the GROMOS force field for biomolecular simulation has primarily been developed for performing molecular dynamics (MD) simulations of polypeptides and, to a lesser extent, sugars. When applied to DNA, the 43A1 and 45A3 parameter sets of the years 1996 and 2001 pro