Molecular multiresolution surfaces
| dc.creator | Wei, G. W. | |
| dc.creator | Sun, Yuhui | |
| dc.creator | Zhou, Y. C. | |
| dc.creator | Feig, M. | |
| dc.date | 2005-11-01 | |
| dc.date.accessioned | 2026-07-07T06:50:26Z | |
| dc.date.available | 2026-07-07T06:50:26Z | |
| dc.description | The surface of a molecule determines much of its chemical and physical property, and is of great interest and importance. In this Letter, we introduce the concept of molecular multiresolution surfaces as a new paradigm of multiscale biological modeling. Molecular multiresolution surfaces contain not only a family of molecular surfaces, corresponding to different probe radii, but also the solvent accessible surface and van der Waals surface as limiting cases. All the proposed surfaces are generated by a novel approach, the diffusion map of continuum solvent over the van der Waals surface of a molecule. A new local spectral evolution kernel is introduced for the numerical integration of the diffusion equation in a single time step. | |
| dc.description | 11 pages, 4 figures | |
| dc.identifier | https://arxiv.org/abs/math-ph/0511001 | |
| dc.identifier | http://arxiv.org/abs/math-ph/0511001 | |
| dc.identifier.uri | http://salesiana.dossiersoluciones.com/handle/123456789/104668 | |
| dc.subject | Mathematical Physics | |
| dc.title | Molecular multiresolution surfaces | |
| dc.type | text |