Efficient parallel algorithms for solvent accessible surface area of proteins
✍ Scribed by Futamura, N.; Aluru, S.; Ranjan, D.; Hariharan, B.
- Book ID
- 125528364
- Publisher
- IEEE
- Year
- 2002
- Tongue
- English
- Weight
- 978 KB
- Volume
- 13
- Category
- Article
- ISSN
- 1045-9219
No coin nor oath required. For personal study only.
📜 SIMILAR VOLUMES
## Abstract Although quantities derived from solvent accessible surface areas (SASA) are useful in many applications in protein design and structural biology, the computational cost of accurate SASA calculation makes SASA‐based scores difficult to integrate into commonly used protein design methodo
## Abstract Continuing advances in computer hardware and software are permitting atomic‐resolution molecular simulations for longer time scales and on larger systems. Despite these advances, routinely performing atomistic simulations with explicit water for even small proteins, which reach the fold
## 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