Cocrystal re-dock results of 4AG8. Overlapping of the co-crystal (cyan) onto the docked pose (orange). The binding pattern was found to be similar. (DOCX 181Â kb
Figure S2. Colocalization of αvβ3 with DisBa-01; VEGFR2 and DisBa-01 + VEGFR2. (A) Integrin αvβ3 (gr...
Table S2. MD simulation results of the first populated site of the C19 compound in the KRAS4b-PDEδ c...
Table S1. Potential candidates to stabilize the KRas4B-PDE6δ complex. Results obtained from the virt...
Docking of the co-crystal within the binding pocket of 1URW. Docking of the co-crystal within the bi...
2D interaction representation of the the reference compound and 4AG8. Detailed molecular interaction...
2D interaction representation of the Hit compound and 4AG8. Detailed molecular interactions of the H...
2D interaction representation of the Hit compound and 1URW. Molecular interaction details of the Hit...
2D interaction representation of the reference compound and 1URW. Molecular interaction details of t...
Active sites comparison. Comparison of the active site residues of 4AG8 and 1UMR. (DOCX 13Â kb
Test set assessment. Assessing the test set values for estimated and the experimental activities by ...
Angiogenesis is defined as the formation of new blood vessels and is a key phenomenon manifested in ...
Figures S1–S5, Tables S1–S2. Figure S1. Production and purification of soluble Ang2-BD bi-specific v...
Caballero, J (reprint author), Univ Talca, Ctr Bioinformat & Simulac Mol, 2 Norte 685,Casilla 721, T...
Additional file 1: Table S1. Re-docking of five ligands co-crystalized with CDK2 to the five Rosetta...
Cartoon representation of the ABL1 kinase domain in complex with the five ATP-competitive inhibitors...
Figure S2. Colocalization of αvβ3 with DisBa-01; VEGFR2 and DisBa-01 + VEGFR2. (A) Integrin αvβ3 (gr...
Table S2. MD simulation results of the first populated site of the C19 compound in the KRAS4b-PDEδ c...
Table S1. Potential candidates to stabilize the KRas4B-PDE6δ complex. Results obtained from the virt...
Docking of the co-crystal within the binding pocket of 1URW. Docking of the co-crystal within the bi...
2D interaction representation of the the reference compound and 4AG8. Detailed molecular interaction...
2D interaction representation of the Hit compound and 4AG8. Detailed molecular interactions of the H...
2D interaction representation of the Hit compound and 1URW. Molecular interaction details of the Hit...
2D interaction representation of the reference compound and 1URW. Molecular interaction details of t...
Active sites comparison. Comparison of the active site residues of 4AG8 and 1UMR. (DOCX 13Â kb
Test set assessment. Assessing the test set values for estimated and the experimental activities by ...
Angiogenesis is defined as the formation of new blood vessels and is a key phenomenon manifested in ...
Figures S1–S5, Tables S1–S2. Figure S1. Production and purification of soluble Ang2-BD bi-specific v...
Caballero, J (reprint author), Univ Talca, Ctr Bioinformat & Simulac Mol, 2 Norte 685,Casilla 721, T...
Additional file 1: Table S1. Re-docking of five ligands co-crystalized with CDK2 to the five Rosetta...
Cartoon representation of the ABL1 kinase domain in complex with the five ATP-competitive inhibitors...
Figure S2. Colocalization of αvβ3 with DisBa-01; VEGFR2 and DisBa-01 + VEGFR2. (A) Integrin αvβ3 (gr...
Table S2. MD simulation results of the first populated site of the C19 compound in the KRAS4b-PDEδ c...
Table S1. Potential candidates to stabilize the KRas4B-PDE6δ complex. Results obtained from the virt...
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