Divide-and-conquer calculations for clean surfaces and surface adsorption
β Scribed by Tianhai Zhu; Wei Pan; Weitao Yang
- Book ID
- 105886975
- Publisher
- Springer
- Year
- 1997
- Tongue
- English
- Weight
- 264 KB
- Volume
- 96
- Category
- Article
- ISSN
- 1432-2234
No coin nor oath required. For personal study only.
π SIMILAR VOLUMES
## Abstract Two divideβandβconquer (DAQ) approaches for building multipoleβbased molecular electrostatic potentials of proteins are presented and evaluated for use in QM/MM calculations. One approach is a further development of the neutralization method of Bellido and Rullmann (J Comput Chem 1989,
The noncompetitive adsorption of the proteins albumin and fibrinogen onto 17 different metal surfaces has been studied in vitro using '251-labeled proteins. Although many of the metals showed very similar adsorption characteristics to polymers, several of them adsorbed considerably greater amounts.