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Improving Binding Mode and Binding Affinity Predictions of Docking by Ligand-based Search of Protein Conformations: Evaluation in D3R Grand Challenge 2015
The growing number of protein-ligand complex structures, particularly the structures of proteins co-bound with different ligands, in the Protein Data Bank helps us tackle two major challenges in molecular docking studies: the protein flexibility and the scoring function. Here, we introduced a system...
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| Vydáno v: | J Comput Aided Mol Des |
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| Hlavní autoři: | , , |
| Médium: | Artigo |
| Jazyk: | Inglês |
| Vydáno: |
2017
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| Témata: | |
| On-line přístup: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5711532/ https://ncbi.nlm.nih.gov/pubmed/28668990 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1007/s10822-017-0038-1 |
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