## Abstract Molecular dynamics studies have been performed on the zwitterionic form of the dipeptide glycineβalanine in water, with focus on the solvation and electrostatic properties using a range of theoretical methods, from purely classical force fields, through mixed quantum mechanical/molecula
A theoretical study of alanine dipeptide and analogs
β Scribed by Teresa Head-Gordon; Martin Head-Gordon; Michael J. Frisch; Charles Brooks III; John Pople
- Publisher
- John Wiley and Sons
- Year
- 2009
- Tongue
- English
- Weight
- 614 KB
- Volume
- 36
- Category
- Article
- ISSN
- 0020-7608
No coin nor oath required. For personal study only.
π SIMILAR VOLUMES
## Abstract It has been observed through the conformational analysis of nucleoside analogues that in most of the cases these molecules possess similar conformations to their parent molecules. Therefore, it is, generally believed that these molecules are incorporated as such in the nucleic acids dur
An essential problem in the theory of biopolymers concerns the effects of solvent on then thermodynarnic, structural, and dynamic properties [l] This is of particular importance because biopolymers contain many charged and polar groups which interact strongly wrth a polar solvent such as water Most