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Ligand Binding Site Refinement to Generate Reliable Holo Protein Structure Conformations from Apo Structures
The first important step in a structure-based virtual screening is the judicious selection of a receptor protein. In cases where holo protein receptor structure is unavailable, significant reduction in virtual screening performance has been reported. In this work, we present a robust method to gener...
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| Udgivet i: | J Chem Inf Model |
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| Main Authors: | , , , |
| Format: | Artigo |
| Sprog: | Inglês |
| Udgivet: |
2020
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| Fag: | |
| Online adgang: | https://ncbi.nlm.nih.gov/pmc/articles/PMC7856192/ https://ncbi.nlm.nih.gov/pubmed/33337877 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jcim.0c01354 |
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