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cdocker interaction program  (Accelrys)
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Accelrys cdocker interaction program
Computational docking prediction of IPA with VEGFRs. ( A ) Three- and ( B ) two-dimensional diagrams of the IPA-VEGFR2 complex were computationally predicted by in silico methods, and ( C ) the table shows IPA-VEGFR2 binding energy and <t>interaction</t> energy. In addition, the computational prediction shows a 3D simulation of ( D ) IPA-VEGFR1 and ( E ) -VEGFR3 docking. ( F ) The table indicates the results of the binding energy and <t>CDOCKER</t> interaction energy of the docking of IPA-VEGFR1 and IPA-VEGFR3.
Cdocker Interaction Program, supplied by Accelrys, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
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Computational docking prediction of IPA with VEGFRs. ( A ) Three- and ( B ) two-dimensional diagrams of the IPA-VEGFR2 complex were computationally predicted by in silico methods, and ( C ) the table shows IPA-VEGFR2 binding energy and interaction energy. In addition, the computational prediction shows a 3D simulation of ( D ) IPA-VEGFR1 and ( E ) -VEGFR3 docking. ( F ) The table indicates the results of the binding energy and CDOCKER interaction energy of the docking of IPA-VEGFR1 and IPA-VEGFR3.

Journal: Antioxidants

Article Title: Ishophloroglucin A Ameliorates VEGF-Induced Epithelial-Mesenchymal Transition via VEGFR2 Pathway Inhibition in Microgravity-Stimulated Human Retinal Pigment Epithelial Cells

doi: 10.3390/antiox11112212

Figure Lengend Snippet: Computational docking prediction of IPA with VEGFRs. ( A ) Three- and ( B ) two-dimensional diagrams of the IPA-VEGFR2 complex were computationally predicted by in silico methods, and ( C ) the table shows IPA-VEGFR2 binding energy and interaction energy. In addition, the computational prediction shows a 3D simulation of ( D ) IPA-VEGFR1 and ( E ) -VEGFR3 docking. ( F ) The table indicates the results of the binding energy and CDOCKER interaction energy of the docking of IPA-VEGFR1 and IPA-VEGFR3.

Article Snippet: All modeling experiments were performed using the CDOCKER INTERACTION program (Discovery Studio 2018, Accelrys, Inc., San Diego, CA, USA), which provides a unique set of tools to model protein–ligand interactions and predicts how a small flexible molecule such as a substrate or a drug candidate binds to a 3D protein structure represented by grid interaction potentials.

Techniques: In Silico, Binding Assay