<p>Binding affinity of ligand data set on modeled structures of UGT86C4 and UGT94F2.</p
†<p>Atoms were numbered following the UCSF Chimera numbering system (which is different from standar...
VALIDATE is a hybrid approach to predict the binding affinity of novel ligands for receptors of know...
<p>Structures and IC<sub>50</sub> values of the studied ligands 1a, 1b and 2.</p
Crystallographic data for structures described in the manuscript "Proper modelling of ligand binding...
AbstractModels for predicting the binding affinities of molecules in solution are either very detail...
<p>Binding constants of each monomeric and heptameric targeting ligand using BIAcore analysis.</p
<p>Binding affinity scores, energies, molecular interactions as well as H-bond distances of the dock...
<p>The results of structure – based (3C6K) binding energy calculation on dimer affinity changes unde...
We have assembled a nonredundant set of 144 protein-protein complexes that have high-resolution stru...
ABSTRACT: Predicting the binding affinities of large sets of diverse molecules against a range of ma...
Accurate ligand-protein binding affinity prediction, for a set of similar binders, is a major challe...
<p>ΔG<sub>binding</sub> energies calculated from docking simulations to CYP2D2 and CYP2D6 models.</p
The uploaded file is supplementary material to the article entitled "Quantitative prediction model f...
Binding parameters obtained from experimental and theoretical studies at pH 7.4 and T = 309.5K.</p
International audienceAfter discussing the relevance of statistical physics in molecular recognition...
†<p>Atoms were numbered following the UCSF Chimera numbering system (which is different from standar...
VALIDATE is a hybrid approach to predict the binding affinity of novel ligands for receptors of know...
<p>Structures and IC<sub>50</sub> values of the studied ligands 1a, 1b and 2.</p
Crystallographic data for structures described in the manuscript "Proper modelling of ligand binding...
AbstractModels for predicting the binding affinities of molecules in solution are either very detail...
<p>Binding constants of each monomeric and heptameric targeting ligand using BIAcore analysis.</p
<p>Binding affinity scores, energies, molecular interactions as well as H-bond distances of the dock...
<p>The results of structure – based (3C6K) binding energy calculation on dimer affinity changes unde...
We have assembled a nonredundant set of 144 protein-protein complexes that have high-resolution stru...
ABSTRACT: Predicting the binding affinities of large sets of diverse molecules against a range of ma...
Accurate ligand-protein binding affinity prediction, for a set of similar binders, is a major challe...
<p>ΔG<sub>binding</sub> energies calculated from docking simulations to CYP2D2 and CYP2D6 models.</p
The uploaded file is supplementary material to the article entitled "Quantitative prediction model f...
Binding parameters obtained from experimental and theoretical studies at pH 7.4 and T = 309.5K.</p
International audienceAfter discussing the relevance of statistical physics in molecular recognition...
†<p>Atoms were numbered following the UCSF Chimera numbering system (which is different from standar...
VALIDATE is a hybrid approach to predict the binding affinity of novel ligands for receptors of know...
<p>Structures and IC<sub>50</sub> values of the studied ligands 1a, 1b and 2.</p
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