Active sites comparison. Comparison of the active site residues of 4AG8 and 1UMR. (DOCX 13Â kb
Library of 75 small molecule inhibitors targeting proteins of the Wnt signaling pathway. Table S2. S...
Experimental and predicted pIC50 values with their residuals of selected COMSIA model. (DOCX 14 kb
Table S2. MD simulation results of the first populated site of the C19 compound in the KRAS4b-PDEδ c...
2D interaction representation of the Hit compound and 1URW. Molecular interaction details of the Hit...
2D interaction representation of the the reference compound and 4AG8. Detailed molecular interaction...
2D interaction representation of the reference compound and 1URW. Molecular interaction details of t...
2D interaction representation of the Hit compound and 4AG8. Detailed molecular interactions of the H...
Docking of the co-crystal within the binding pocket of 1URW. Docking of the co-crystal within the bi...
Test set assessment. Assessing the test set values for estimated and the experimental activities by ...
Cocrystal re-dock results of 4AG8. Overlapping of the co-crystal (cyan) onto the docked pose (orange...
Angiogenesis is defined as the formation of new blood vessels and is a key phenomenon manifested in ...
Caballero, J (reprint author), Univ Talca, Ctr Bioinformat & Simulac Mol, 2 Norte 685,Casilla 721, T...
The vascular endothelial growth factor receptor 2 (VEGFR-2) is largely recognized as a potent therap...
Additional file 1: Table S1. Re-docking of five ligands co-crystalized with CDK2 to the five Rosetta...
Table S1. Kinase inhibitor library screening. A commercial kinase inhibitor library of 274 compounds...
Library of 75 small molecule inhibitors targeting proteins of the Wnt signaling pathway. Table S2. S...
Experimental and predicted pIC50 values with their residuals of selected COMSIA model. (DOCX 14 kb
Table S2. MD simulation results of the first populated site of the C19 compound in the KRAS4b-PDEδ c...
2D interaction representation of the Hit compound and 1URW. Molecular interaction details of the Hit...
2D interaction representation of the the reference compound and 4AG8. Detailed molecular interaction...
2D interaction representation of the reference compound and 1URW. Molecular interaction details of t...
2D interaction representation of the Hit compound and 4AG8. Detailed molecular interactions of the H...
Docking of the co-crystal within the binding pocket of 1URW. Docking of the co-crystal within the bi...
Test set assessment. Assessing the test set values for estimated and the experimental activities by ...
Cocrystal re-dock results of 4AG8. Overlapping of the co-crystal (cyan) onto the docked pose (orange...
Angiogenesis is defined as the formation of new blood vessels and is a key phenomenon manifested in ...
Caballero, J (reprint author), Univ Talca, Ctr Bioinformat & Simulac Mol, 2 Norte 685,Casilla 721, T...
The vascular endothelial growth factor receptor 2 (VEGFR-2) is largely recognized as a potent therap...
Additional file 1: Table S1. Re-docking of five ligands co-crystalized with CDK2 to the five Rosetta...
Table S1. Kinase inhibitor library screening. A commercial kinase inhibitor library of 274 compounds...
Library of 75 small molecule inhibitors targeting proteins of the Wnt signaling pathway. Table S2. S...
Experimental and predicted pIC50 values with their residuals of selected COMSIA model. (DOCX 14 kb
Table S2. MD simulation results of the first populated site of the C19 compound in the KRAS4b-PDEδ c...
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