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Optimal affinity ranking for automated virtual screening validated in prospective D3R Grand Challenges
The goal of virtual screening is to generate a substantially reduced and enriched subset of compounds from a large virtual chemistry space. Critical in these efforts are methods to properly rank the binding affinity of compounds. Prospective evaluations of ranking strategies in the D3R Grand Challen...
Gorde:
| Argitaratua izan da: | J Comput Aided Mol Des |
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| Egile Nagusiak: | , , |
| Formatua: | Artigo |
| Hizkuntza: | Inglês |
| Argitaratua: |
2017
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| Gaiak: | |
| Sarrera elektronikoa: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5771500/ https://ncbi.nlm.nih.gov/pubmed/28918599 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1007/s10822-017-0065-y |
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