Yüklüyor......
Applying Pose Clustering and MD Simulations To Eliminate False Positives in Molecular Docking
In this work, we developed a computational protocol that employs multiple molecular docking experiments, followed by pose clustering, molecular dynamic simulations (10 ns), and energy rescoring to produce reliable 3D models of antibody–carbohydrate complexes. The protocol was applied to 10 antibody–...
Kaydedildi:
| Yayımlandı: | J Chem Inf Model |
|---|---|
| Asıl Yazarlar: | , , |
| Materyal Türü: | Artigo |
| Dil: | Inglês |
| Baskı/Yayın Bilgisi: |
2018
|
| Konular: | |
| Online Erişim: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6067002/ https://ncbi.nlm.nih.gov/pubmed/29431438 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jcim.7b00588 |
| Etiketler: |
Etiketle
Etiket eklenmemiş, İlk siz ekleyin!
|