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Automated Docking with Protein Flexibility in the Design of Femtomolar “Click Chemistry” Inhibitors of Acetylcholinesterase
The use of computer-aided structure-based drug design prior to synthesis has proven to be generally valuable in suggesting improved binding analogues of existing ligands.(1) Here we describe the application of the program AutoDock(2) to the design of a focused library that was used in the “click che...
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| Autori principali: | , , , , , , |
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| Natura: | Artigo |
| Lingua: | Inglês |
| Pubblicazione: |
2013
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| Soggetti: | |
| Accesso online: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3698963/ https://ncbi.nlm.nih.gov/pubmed/23451944 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ci300545a |
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