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Utilizing Grand Canonical Monte Carlo Methods in Drug Discovery
[Image: see text] The concepts behind targeting waters for potency and selectivity gains have been well documented and explored, although maximizing such potential gains can prove to be challenging. This problem is exacerbated in cases where there are multiple interacting waters, wherein perturbatio...
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| Udgivet i: | ACS Med Chem Lett |
|---|---|
| Main Authors: | , , |
| Format: | Artigo |
| Sprog: | Inglês |
| Udgivet: |
American
Chemical Society
2019
|
| Online adgang: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6956344/ https://ncbi.nlm.nih.gov/pubmed/31938467 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acsmedchemlett.9b00499 |
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