Search alternatives:
significant binding » significant burden (Expand Search), significant mediating (Expand Search), significant benefits (Expand Search)
linear decrease » linear increase (Expand Search)
inter decrease » water decreases (Expand Search), teer decrease (Expand Search), step decrease (Expand Search)
binding based » findings based (Expand Search), buildings based (Expand Search), binding poses (Expand Search)
significant binding » significant burden (Expand Search), significant mediating (Expand Search), significant benefits (Expand Search)
linear decrease » linear increase (Expand Search)
inter decrease » water decreases (Expand Search), teer decrease (Expand Search), step decrease (Expand Search)
binding based » findings based (Expand Search), buildings based (Expand Search), binding poses (Expand Search)
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Combining DiffBind with a PBS-based differential analysis.
Published 2023“…(B) Comparison between top GO terms for a DiffBind-based differential analysis (left) and a combined DiffBind and PBS-based analysis (right). …”
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Discovery and Binding Mechanism of Pyrazoloisoquinoline-Based Novel β‑Arrestin Inverse Agonists of the Kappa-Opioid Receptor
Published 2023“…Moreover, we use molecular dynamics simulations to predict the binding mode of the inverse agonist and propose a mechanism for the inverse agonism. …”
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152
Discovery and Binding Mechanism of Pyrazoloisoquinoline-Based Novel β‑Arrestin Inverse Agonists of the Kappa-Opioid Receptor
Published 2023“…Moreover, we use molecular dynamics simulations to predict the binding mode of the inverse agonist and propose a mechanism for the inverse agonism. …”
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153
Discovery and Binding Mechanism of Pyrazoloisoquinoline-Based Novel β‑Arrestin Inverse Agonists of the Kappa-Opioid Receptor
Published 2023“…Moreover, we use molecular dynamics simulations to predict the binding mode of the inverse agonist and propose a mechanism for the inverse agonism. …”
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154
Discovery and Binding Mechanism of Pyrazoloisoquinoline-Based Novel β‑Arrestin Inverse Agonists of the Kappa-Opioid Receptor
Published 2023“…Moreover, we use molecular dynamics simulations to predict the binding mode of the inverse agonist and propose a mechanism for the inverse agonism. …”
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Redesigning binding specificity and affinity based on modeled complex structure.
Published 2020“…The loop truncated RbF4 (RbF4-LT) was testing for binding against the IgGs from the three species. Further computational design on the model identified mutations (S241M and S244R: RbF4-MR) that could significantly improve the binding affinity for mIgG<sub>1</sub> (1 μM to 168.1 nM) while maintaining that for hIgG<sub>1</sub> (<b><a href="http://www.ploscompbiol.org/article/info:doi/10.1371/journal.pcbi.1008150#pcbi.1008150.s010" target="_blank">S3 Table</a></b> for details). …”
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