2024_Druzhkova_et_al

Supplementary data

“An integrated approach to assessing the antiangiogenic and antitumor activity of a multivalent fusion protein targeting VEGFR2, NRP-1 and DR5 receptors” by Druzhkova et al.

GitHub repository

https://github.com/intbio/2024_Druzhkova_et_al

MD simulations

Interactive preview of MD trajectories

• SRH–DR5-B–iRGD/DR5 - trimer of bivalent fusion SRH–DR5-B–iRGD in complex with receptor DR5 (derived from PDB ID 1D0G)
• SRH–DR5-B–iRGD - trimer of bivalent fusion SRH–DR5-B–iRGD without receptor DR5 (derived from PDB ID 1D0G)
• DR5-B/DR5 - trimer of DR5-B in complex with receptor DR5 (derived from PDB ID 1D0G)

Trajectory files

• SRH–DR5-B–iRGD–DR5 - trimer of bivalent fusion SRH–DR5-B–iRGD in complex with receptor DR5 (derived from PDB ID 1D0G: pdb, xtc
• SRH–DR5-B–iRGD - trimer of bivalent fusion SRH–DR5-B–iRGD without receptor DR5 (derived from PDB ID 1D0G): pdb, xtc
• DR5-B–DR5 - trimer of DR5-B in complex with receptor DR5 (derived from PDB ID 1D0G): pdb, xtc

Protocols

• Production run MDP-file for Gromacs

Docking results

• SRH-VEGFR2 complex
• iRGD-integrin aV/b3 complex
• iRGD-NRP1 complex

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