✦ LIBER ✦
Examining methods for calculations of binding free energies: LRA, LIE, PDLD-LRA, and PDLD/S-LRA calculations of ligands binding to an HIV protease
✍ Scribed by Yuk Yin Sham; Zhen Tao Chu; Holly Tao; Arieh Warshel
- Publisher
- John Wiley and Sons
- Year
- 2000
- Tongue
- English
- Weight
- 202 KB
- Volume
- 39
- Category
- Article
- ISSN
- 0887-3585
No coin nor oath required. For personal study only.
✦ Synopsis
found that results of similar quality are obtained by the PDLD/S method and the LRA method. This is significant since the PDLD/S method is much faster than the LRA and LIE methods. However, more studies of the relative accuracy on other systems are needed in order to establish their relative merits.