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Protein–ligand docking with multiple flexible side chains
In this work, we validate and analyze the results of previously published cross docking experiments and classify failed dockings based on the conformational changes observed in the receptors. We show that a majority of failed experiments (i.e. 25 out of 33, involving four different receptors: cAPK,...
Shranjeno v:
| izdano v: | J Comput Aided Mol Des |
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| Main Authors: | , |
| Format: | Artigo |
| Jezik: | Inglês |
| Izdano: |
2007
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| Teme: | |
| Online dostop: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4828239/ https://ncbi.nlm.nih.gov/pubmed/18034309 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1007/s10822-007-9148-5 |
| Oznake: |
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