<p>Plot of ligand efficiencies (LE) of SPR confirmed hits vs. number of heavy atoms <i>N<sub>h.</sub></i> Binding affinities (K<sub>D</sub>) were obtained from injection of fragments in dose response manner from 50 uM in two-fold dilutions. One very interesting hit with LE of 0.5 and <i>HAC</i> of 13 is A (red dot) with a mid micro-molar affinity (K<sub>D</sub> of 18.6 uM).</p
In the last decade, X-ray crystallography has matured to a powerful primary screening technique for ...
Fragment-based screening is an established route to identify low-molecular-weight molecules to gener...
The judicious application of ligand or binding efficiency metrics, which quantify the molecular prop...
Fragment-based drug discovery (FBDD) has become a widely accepted tool that is complementary to high...
<p># Hits are compounds in series with activity <5 µM against the respective NMT. LHR = Local hit ra...
a)<p>Samples with low analyte concentrations did not reach chemical equilibrium (plateau phase) duri...
Fragment-based drug design is increasingly used to identify suitable scaffolds in drug discovery. Wh...
<p>(a) Summary scatter plot. Positions along axes report the median binding affinity of all compound...
Ligand efficiency is a widely used design parameter in drug discovery. It is calculated by scaling a...
<p>Measurements were performed using SPR as described in Methods. For each ligand the target epitope...
High hit rates from initial ligand-observed NMR screening can make it challenging to prioritize whic...
Ligand efficiency (LE) is a molecular descriptor that probes the ratio of potency vs. heavy atom cou...
Fragment-based screening is an established route to identify low-molecular-weight molecules to gener...
<p>The end-points of the various injections were plotted against protein concentration and the hyper...
<p>Different concentrations of compounds were tested for the binding (left panels in all cases). The...
In the last decade, X-ray crystallography has matured to a powerful primary screening technique for ...
Fragment-based screening is an established route to identify low-molecular-weight molecules to gener...
The judicious application of ligand or binding efficiency metrics, which quantify the molecular prop...
Fragment-based drug discovery (FBDD) has become a widely accepted tool that is complementary to high...
<p># Hits are compounds in series with activity <5 µM against the respective NMT. LHR = Local hit ra...
a)<p>Samples with low analyte concentrations did not reach chemical equilibrium (plateau phase) duri...
Fragment-based drug design is increasingly used to identify suitable scaffolds in drug discovery. Wh...
<p>(a) Summary scatter plot. Positions along axes report the median binding affinity of all compound...
Ligand efficiency is a widely used design parameter in drug discovery. It is calculated by scaling a...
<p>Measurements were performed using SPR as described in Methods. For each ligand the target epitope...
High hit rates from initial ligand-observed NMR screening can make it challenging to prioritize whic...
Ligand efficiency (LE) is a molecular descriptor that probes the ratio of potency vs. heavy atom cou...
Fragment-based screening is an established route to identify low-molecular-weight molecules to gener...
<p>The end-points of the various injections were plotted against protein concentration and the hyper...
<p>Different concentrations of compounds were tested for the binding (left panels in all cases). The...
In the last decade, X-ray crystallography has matured to a powerful primary screening technique for ...
Fragment-based screening is an established route to identify low-molecular-weight molecules to gener...
The judicious application of ligand or binding efficiency metrics, which quantify the molecular prop...