An algorithm is presented for calculating the solvent accessible surface area of proteins using a threedimensional grid. Since it requires only calculations based on single atomic positions, the algorithm is easy to be vectorized. It has been implemented on STlOO and may also be implemented on super
β¦ LIBER β¦
Hydration of peptides. I. Calculation of accessible surface areas for several conformations of a cyclic dipeptide
β Scribed by M. Genest; F. Vovelle; M. Ptak; B. Maigret; S. Premilat
- Publisher
- Elsevier Science
- Year
- 1980
- Tongue
- English
- Weight
- 750 KB
- Volume
- 87
- Category
- Article
- ISSN
- 0022-5193
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## Abstract A novel method to calculate the derivatives of solvent accessible surface areas is presented. Unlike earlier analytic methods, which require the molecular topology and the use of global GaussβBonnet theorem, this method requires only the fractional accessibilities of surface arcs. We de