LigMerge: A Fast Algorithm to Generate Models of Novel Potential Ligands from Sets of Known Binders

One common practice in drug discovery is to optimize known or suspected ligands in order to improve binding affinity. In performing these optimizations, it is useful to look at as many known inhibitors as possible for guidance. Medicinal chemists often seek to improve potency by altering certain che...

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Detaylı Bibliyografya
Asıl Yazarlar: Lindert, Steffen, Durrant, Jacob D, McCammon, J Andrew
Materyal Türü: Artigo
Dil:Inglês
Baskı/Yayın Bilgisi: Blackwell Publishing Ltd 2012
Konular:
Research Articles
Online Erişim:https://ncbi.nlm.nih.gov/pmc/articles/PMC3462068/
https://ncbi.nlm.nih.gov/pubmed/22594624
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1111/j.1747-0285.2012.01414.x
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