<p>ΔG<sub>binding</sub> energies calculated from docking simulations to CYP2D2 and CYP2D6 models.</p
<div><p>Prediction of human Cytochrome P450 (CYP) binding affinities of small ligands, i.e., substra...
<p>RMSD value in the last column refers to the average value of ligand during the whole MD simulatio...
<p>Energies and stoichiometry ratios for binding of recombinant murine PrP (1AG2) to compounds from ...
Cytochrome P450s (CYPs) exhibit a large plasticity and flexibility in the active site allowing for t...
The estimation of the correct binding mode and affinity of a ligand into a target protein using comp...
Because of the large flexibility and malleability of Cytochrome P450 enzymes (CYPs), in silico predi...
Because of the large flexibility and malleability of Cytochrome P450 enzymes (CYPs), in silico predi...
<p>Binding energy for the best docking positions for drug-dendrimer Complexes.</p
Because of the large flexibility and malleability of Cytochrome P450 enzymes (CYPs), in silico predi...
Because of the large flexibility and malleability of Cytochrome P450 enzymes (CYPs), in silico predi...
Accurate ligand-protein binding affinity prediction, for a set of similar binders, is a major challe...
One aspect of drug design involves filtering libraries of existing compounds in order to select thos...
Prediction of human Cytochrome P450 (CYP) binding affinities of small ligands, i.e., sub-strates and...
Prediction of human Cytochrome P450 (CYP) binding affinities of small ligands, i.e., substrates and ...
<p>The ligand-enzyme interaction energy value (Δ<i>E</i><sub>binding</sub>) was calculated using the...
<div><p>Prediction of human Cytochrome P450 (CYP) binding affinities of small ligands, i.e., substra...
<p>RMSD value in the last column refers to the average value of ligand during the whole MD simulatio...
<p>Energies and stoichiometry ratios for binding of recombinant murine PrP (1AG2) to compounds from ...
Cytochrome P450s (CYPs) exhibit a large plasticity and flexibility in the active site allowing for t...
The estimation of the correct binding mode and affinity of a ligand into a target protein using comp...
Because of the large flexibility and malleability of Cytochrome P450 enzymes (CYPs), in silico predi...
Because of the large flexibility and malleability of Cytochrome P450 enzymes (CYPs), in silico predi...
<p>Binding energy for the best docking positions for drug-dendrimer Complexes.</p
Because of the large flexibility and malleability of Cytochrome P450 enzymes (CYPs), in silico predi...
Because of the large flexibility and malleability of Cytochrome P450 enzymes (CYPs), in silico predi...
Accurate ligand-protein binding affinity prediction, for a set of similar binders, is a major challe...
One aspect of drug design involves filtering libraries of existing compounds in order to select thos...
Prediction of human Cytochrome P450 (CYP) binding affinities of small ligands, i.e., sub-strates and...
Prediction of human Cytochrome P450 (CYP) binding affinities of small ligands, i.e., substrates and ...
<p>The ligand-enzyme interaction energy value (Δ<i>E</i><sub>binding</sub>) was calculated using the...
<div><p>Prediction of human Cytochrome P450 (CYP) binding affinities of small ligands, i.e., substra...
<p>RMSD value in the last column refers to the average value of ligand during the whole MD simulatio...
<p>Energies and stoichiometry ratios for binding of recombinant murine PrP (1AG2) to compounds from ...
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