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Computing Absolute Free Energy with Deep Generative Models
Fast and accurate evaluation of free energy has broad applications from drug design to material engineering. Computing the absolute free energy is of particular interest since it allows the assessment of the relative stability between states without intermediates. Here we introduce a general framewo...
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| Veröffentlicht in: | J Phys Chem B |
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| Hauptverfasser: | , |
| Format: | Artigo |
| Sprache: | Inglês |
| Veröffentlicht: |
2020
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| Schlagworte: | |
| Online Zugang: | https://ncbi.nlm.nih.gov/pmc/articles/PMC8053255/ https://ncbi.nlm.nih.gov/pubmed/33143418 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jpcb.0c08645 |
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