Massive-Scale Binding Free Energy Simulations of HIV Integrase Complexes Using Asynchronous Replica Exchange Framework Implemented on the IBM WCG Distributed Network
- Award ID(s):
- 1665032
- PAR ID:
- 10093516
- Date Published:
- Journal Name:
- Journal of Chemical Information and Modeling
- Volume:
- 59
- Issue:
- 4
- ISSN:
- 1549-9596
- Page Range / eLocation ID:
- 1382 to 1397
- Format(s):
- Medium: X
- Sponsoring Org:
- National Science Foundation
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