Web13 de abr. de 2024 · Using a combination of unconstrained and constrained molecular dynamics simulations, we have evaluated the binding affinities between two porphyrin derivatives (TMPyP4 and TEGPy) and the G-quadruplex (G4) of a DNA fragment modeling the insulin-linked polymorphic region (ILPR). Refining a well-established potential of … Web23 de mai. de 2024 · Protein–ligand interactions are increasingly profiled at high throughput using affinity selection and massively parallel sequencing. However, these assays do …
Quantifying High-Affinity Binding of Hydrophobic Ligands by …
Web1 de set. de 1998 · In particular, we found that our designed ligand has subnanomolar affinity for its target despite the presence of an enclosed hole in the binding interface. Cavities at interfaces previously have been considered incompatible with high affinity ligand binding, which is invariably characterized by excellent shape complementarity ( 5 ). Web2 de dez. de 2024 · The ~1000-fold higher affinity of the EO conformation than the closed conformations is achieved by the ~25,000-fold lower off-rate of the EO conformation for … simplicity\u0027s 4h
High-affinity ligand probes of CD22 overcome the threshold set …
Web12 de dez. de 2014 · The present results support our previous conclusions and provide a coherent rationale for explaining the prevalence in high-affinity ligands of (i) the two oxygen atoms found in carbonyl or sulfonyl groups of dissimilar core structures and of (ii) symmetric or pseudo-symmetric mobile groups of atoms found as non-core moieties. Web23 de dez. de 2014 · However, the direct binding targets of these compounds and the molecular mechanisms by which they work remain obscure. 7. Realizing the potential importance of discovering high-affinity, non-lipid ligands for mincle, we took note of the significant structural similarity between brartemicin and TDM . Web10 de jan. de 2011 · The fact that very high ligand concentrations induce different phenotypes –, however, suggests that low-affinity binding may also play an important … raymond foxworth