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Based on these Ab titrations, Kd were calculated and relative binding affinities based on these Kd were graphed.
This is accomplished by three steps: (1) docking of all possible 9-mer core segments from the peptide into the MHC protein to predict the structures of the bound complexes, (2) machine-learning based scoring to predict the 9-mer binding affinities based on the structures from step (1), and (3) calculating the final binding score as the maximum score over all 9-mer segments.
(A ) Summary of NMR binding assays of N-labeled NPF fragments probed with ChiLS; +–+++, estimates of binding affinities, based on minimal ChiLS concentrations required for line-broadening; −, no binding (see also Figure 4 ); top, preferred NPF context in strong binders (numbering of positions as in de Beer et al., 2000 ).
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The main aim of this study is to provide understanding for the interaction modes and the binding affinity based on the study of PEG 400 that binds to ctDNA.
Here we report the development of a machine-learning model to predict binding affinity based on the crystallographic structures of protein-ligand complexes.
When assessing binding affinity based on Kd values, we observed a different relationship, more closely resembling that reported in the literature.
Here, we introduce a new and simple approach to predict binding affinity based on functional and structural features of the biological system, namely the network of interfacial contacts.
The same MSA was also analysed with the Chai algorithm to obtain a profile of protein binding affinity based on local DNA topology [ 64].
Evaluating literature strengthens the scope to exploit the new protein fold in ZFPs showcasing DNA binding affinity based on novel recognition principals, holding the key to engineering novel Zinc fingers for targeted genome therapy.
The docking results shown the rosmaricine derivatives bind influenza hemagglutinin with high affinity based on binding energy.
Therefore, the source of the disparity between the H5N1 and H7N9 viruses infection capacity could be more complex than affinity based on differential receptor binding properties.
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