## Abstract In our attempts to achieve a detailed understanding of protein–silica interactions at an atomic level we have, as a first step, simulated a small system consisting of one alanine in different protonation states, and a hydroxylated silica surface, using a first‐principles molecular‐dynam
✦ LIBER ✦
Investigating biological systems using first principles Car–Parrinello molecular dynamics simulations
✍ Scribed by Matteo Dal Peraro; Paolo Ruggerone; Simone Raugei; Francesco Luigi Gervasio; Paolo Carloni
- Book ID
- 113883156
- Publisher
- Elsevier Science
- Year
- 2007
- Tongue
- English
- Weight
- 660 KB
- Volume
- 17
- Category
- Article
- ISSN
- 0959-440X
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