Density functional theory based molecular dynamics (DFT-MD), play an increasingly important role for the modeling of biological systems. Here we outline the principles of the DFT-MD method. Subsequently, we present selected applications in nucleic acid and enzyme chemistry, which are meant to illust
β¦ LIBER β¦
Density-functional theory and molecular dynamics: a new perspective for simulations of biological systems
β Scribed by Wanda Andreoni
- Book ID
- 111568294
- Publisher
- Springer
- Year
- 1998
- Tongue
- English
- Weight
- 21 KB
- Volume
- 9/11
- Category
- Article
- ISSN
- 0928-2866
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