نتایج جستجو برای: ligand protein interactions
تعداد نتایج: 1611076 فیلتر نتایج به سال:
Diterpene glucoside fusicoccin A (FC-A) is a phytotoxic fungal metabolite that stabilizes the interactions between 14-3-3 protein and phosphorylated ligand protein. 14-3-3-mediated binding central to regulation of serine/threonine kinase signaling pathway in all eukaryotic cells essential for controlling numerous biological processes. Thus, fusicoccins could serve as robust platform developing ...
Understanding the dynamics of ligand-protein interactions is indispensable in the design of novel therapeutic agents. In this paper, we establish the use of Stochastic Roadmap Simulation (SRS) for the study of ligand-protein interactions through two studies. In our first study, we measure the effects of mutations on the catalytic site of a protein, a process called computational mutagenesis. In...
Protein-ligand interactions taking place far away from the active site, during ligand binding or release, may determine molecular specificity and activity. However, obtaining information about these interactions with experimental or computational methods remains difficult. The computational tool presented in this article, MoMA-LigPath, is based on a mechanistic representation of the molecular s...
In allosteric regulation, protein activity is altered when ligand binding causes changes in the protein conformational distribution. Little is known about which aspects of protein design lead to effective allosteric regulation, however. To increase understanding of the relation between protein structure and allosteric effects, we have developed theoretical tools to quantify the influence of pro...
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