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Force fields for small molecules
Molecular dynamics (MD) simulations have been widely applied to computer-aided drug design (CADD). While MD has been used in a variety of applications, such as free energy perturbation and long-time simulations, the accuracy of the results from those methods depends strongly on the force field used....
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| Veröffentlicht in: | Methods Mol Biol |
|---|---|
| Hauptverfasser: | , |
| Format: | Artigo |
| Sprache: | Inglês |
| Veröffentlicht: |
2019
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| Schlagworte: | |
| Online Zugang: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6733265/ https://ncbi.nlm.nih.gov/pubmed/31396898 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1007/978-1-4939-9608-7_2 |
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