<p>Averaged structural interaction fingerprints calculated over all successfully docked poses among two receptor conformations and 29 ligands presented for all identified interacting residues.</p
<p>X-axis represents the accumulated percentage of positively predicted interactions in each method,...
Protein-ligand interaction fingerprints (IFPs) are binary 1D representations of the 3D structure of ...
Predicted intermolecular interactions between antibody and antigen for each of the five candidate po...
The results of molecular docking pose interactions between compounds and proteins.</p
ABSTRACT: Accurate and affordable assessment of ligand−protein affinity for structure-based virtual ...
Item does not contain fulltextProtein-ligand interaction fingerprints (IFPs) are binary 1D represent...
Protein–ligand interaction fingerprints (IFPs) are binary 1D representations of the 3D structure of ...
The dataset contains results of experiments on five different GPCRs; 1) the docked poses of ligands ...
KMNIME workflow to analyze the frequency of receptor-ligand interactions on a set of poses from diff...
<p>Intermolecular ligand-receptor per-residue interaction spectrum of the four complexes.</p
<p>The protocol is based on docking calculations and JET predictions and produces an interaction mat...
<p>For each protein, we plot as false positives (FPs, black curve) the number of partners (excepted ...
The dataset contains results of experiments on five different GPCRs; 1) the docked poses of ligands ...
<p>The 43 systems reported in this table are the ones for which ADFR correctly reports the docked so...
A summary of the docking simulations conducted on three specific input structures showing the number...
<p>X-axis represents the accumulated percentage of positively predicted interactions in each method,...
Protein-ligand interaction fingerprints (IFPs) are binary 1D representations of the 3D structure of ...
Predicted intermolecular interactions between antibody and antigen for each of the five candidate po...
The results of molecular docking pose interactions between compounds and proteins.</p
ABSTRACT: Accurate and affordable assessment of ligand−protein affinity for structure-based virtual ...
Item does not contain fulltextProtein-ligand interaction fingerprints (IFPs) are binary 1D represent...
Protein–ligand interaction fingerprints (IFPs) are binary 1D representations of the 3D structure of ...
The dataset contains results of experiments on five different GPCRs; 1) the docked poses of ligands ...
KMNIME workflow to analyze the frequency of receptor-ligand interactions on a set of poses from diff...
<p>Intermolecular ligand-receptor per-residue interaction spectrum of the four complexes.</p
<p>The protocol is based on docking calculations and JET predictions and produces an interaction mat...
<p>For each protein, we plot as false positives (FPs, black curve) the number of partners (excepted ...
The dataset contains results of experiments on five different GPCRs; 1) the docked poses of ligands ...
<p>The 43 systems reported in this table are the ones for which ADFR correctly reports the docked so...
A summary of the docking simulations conducted on three specific input structures showing the number...
<p>X-axis represents the accumulated percentage of positively predicted interactions in each method,...
Protein-ligand interaction fingerprints (IFPs) are binary 1D representations of the 3D structure of ...
Predicted intermolecular interactions between antibody and antigen for each of the five candidate po...