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D3R Grand Challenge 4: Ligand similarity and MM-GBSA-based pose prediction and affinity ranking for BACE-1 inhibitors
The Drug Design Data Resource (D3R) Grand Challenges present an opportunity to assess, in the context of a blind predictive challenge, the accuracy and the limits of tools and methodologies designed to help guide pharmaceutical drug discovery projects. Here, we report the results of our participatio...
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| Publicado no: | J Comput Aided Mol Des |
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| Main Authors: | , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2019
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC8208075/ https://ncbi.nlm.nih.gov/pubmed/31781990 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1007/s10822-019-00249-1 |
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