GAME: A computer graphics method for calculating and displaying the molecular electrostatic potential
โ Scribed by Helmut Hayd; Andreas Bergner; Heinzwerner Preuss
- Publisher
- Elsevier Science
- Year
- 1995
- Tongue
- English
- Weight
- 847 KB
- Volume
- 13
- Category
- Article
- ISSN
- 0263-7855
No coin nor oath required. For personal study only.
๐ SIMILAR VOLUMES
We present a numerical method for calculating the electrostatic potential of molecules in solution, using the linearized Poisson-Boltzmann equation. The emphasis in this work is on applications to biological macromolecules. The accuracy of the method is assessed by comparisons with analytic solution
An improved version of the "marching-cube" method' is proposed for molecular surface triangulation. This new algorithm involves fewer and simpler basic building blocks and avoids the artificial gaps of the original one. Moreover, to make it applicable to the boundary element method, the procedures f