## Abstract In the calculation of thermodynamic properties and three‐dimensional structures of macromolecules, such as proteins, it is important to have an efficient algorithm for computing the solvent‐accessible surface area of macromolecules. Here, we propose a new analytical method for this purp
✦ LIBER ✦
Exact and efficient analytical calculation of the accessible surface areas and their gradients for macromolecules
✍ Scribed by Fraczkiewicz, Robert; Braun, Werner
- Publisher
- John Wiley and Sons
- Year
- 1998
- Tongue
- English
- Weight
- 371 KB
- Volume
- 19
- Category
- Article
- ISSN
- 0192-8651
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## Abstract New computer programs, SurfRace and FastSurf, perform fast calculations of the solvent accessible and molecular (solvent excluded) surface areas of macromolecules. Program SurfRace also calculates the areas of cavities inaccessible from the outside. We introduce the definition of averag