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eTOX ALLIES: an automated pipeLine for linear interaction energy-based simulations
BACKGROUND: Computational methods to predict binding affinities of small ligands toward relevant biological (off-)targets are helpful in prioritizing the screening and synthesis of new drug candidates, thereby speeding up the drug discovery process. However, use of ligand-based approaches can lead t...
Αποθηκεύτηκε σε:
| Τόπος έκδοσης: | J Cheminform |
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| Κύριοι συγγραφείς: | , , , , , , , |
| Μορφή: | Artigo |
| Γλώσσα: | Inglês |
| Έκδοση: |
Springer International Publishing
2017
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| Θέματα: | |
| Διαθέσιμο Online: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5696310/ https://ncbi.nlm.nih.gov/pubmed/29159598 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1186/s13321-017-0243-x |
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