Implicit model for the hydration free energy calculation in the task of the supercomputer docking (Q2304585)
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scientific article; zbMATH DE number 7179920
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| English | Implicit model for the hydration free energy calculation in the task of the supercomputer docking |
scientific article; zbMATH DE number 7179920 |
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Implicit model for the hydration free energy calculation in the task of the supercomputer docking (English)
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12 March 2020
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hydration free energy
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implicit solvent model
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supercomputer docking
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protein-ligand complexes
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0.6910963654518127
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0.657114565372467
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0.6518042683601379
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