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Computational design of small molecular modulators of protein–protein interactions with a novel thermodynamic cycle: Allosteric inhibitors of HIV‐1 integrase

Targeting protein–protein interactions for therapeutic development involves designing small molecules to either disrupt or enhance a known PPI. For this purpose, it is necessary to compute reliably the effect of chemical modifications of small molecules on the protein–protein association free energy...

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Kaydedildi:
Detaylı Bibliyografya
Yayımlandı:Protein Sci
Asıl Yazarlar: Sun, Qinfang, Ramaswamy, Vijayan S. K., Levy, Ronald, Deng, Nanjie
Materyal Türü: Artigo
Dil:Inglês
Baskı/Yayın Bilgisi: John Wiley & Sons, Inc. 2020
Konular:
Online Erişim:https://ncbi.nlm.nih.gov/pmc/articles/PMC7784772/
https://ncbi.nlm.nih.gov/pubmed/33244804
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/pro.4004
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