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SOMD
🌐 ·2020
Collected
Throughput Accounting
Case Summary
Implementation of the QUBE force field in alchemical free energy calculation molecular dynamics simulation package SOMD.
Quantified Results
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Source
- Title
- Implementation of the QUBE Force Field for High-Throughput Alchemical Free Energy Calculations
- Type
- academic paper
- Year
- 2020
- Confidence Score
- 80%