VinaLC: Parallel Molecular Docking Program
- Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
VinaLC is based on a very popular PC-based molecular docking program, AutoDock Vina. The original Vina docking program was modified and parallelized, using an MPI and multithreading hybrid scheme, and potentially can be used in the future on exascale machines, without sacrificing accuracy.
- Software Type:
- Scientific
- License(s):
- Apache License 2.0
- Research Organization:
- Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)
- Sponsoring Organization:
- USDOE National Nuclear Security Administration (NNSA)Primary Award/Contract Number:AC52-07NA27344
- DOE Contract Number:
- AC52-07NA27344
- Code ID:
- 9589
- OSTI ID:
- code-9589
- Country of Origin:
- United States
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