Assessment of Computational Tools for Predicting Supramolecular Synthons
The ability to predict the most likely supramolecular synthons in a crystalline solid is a valuable starting point for subsequently predicting the full crystal structure of a molecule with multiple competing molecular recognition sites. Energy and informatics-based prediction models based on molecul...
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| Hlavní autoři: | , , , , |
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| Médium: | Artigo |
| Jazyk: | Inglês |
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MDPI AG
2021-05-01
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| Edice: | Chemistry |
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| On-line přístup: | https://www.mdpi.com/2624-8549/3/2/43 |
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