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Open3DALIGN x64
Open3DALIGN x64 2.28   
... workflow could be the following: 1. A dataset is imported as SDF file 2. Optionally, for each compound of the dataset a quenched molecular dynamics (QMD) conformational search is ... the global minimum 3. One or more template compounds are chosen, then the whole dataset is best-aligned ...
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tags: x64 molecular alignment, x64 molecular dynamics, x64 dataset compound, x64 molecule, x64 alignment, x64 compund
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