Home - tbalius/teb_docking_test_sets GitHub Wiki
Welcome to the teb_docking_test_sets wiki!
This wiki will have DOCK tutorials!
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Docking BI-2852 (PDB ID 6GJ8) to KRAS G12D (GCP cofactor, GTP analog).
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Docking MRTX-1133 (PDB ID 7RPZ) to KRAS G12D (GDP cofactor).
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Docking Sotorasib (PDB ID 6OIM) to KRAS G12C (GDP cofactor).
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Docking with receptor desolvation using GIST and 3D-RISM.
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Macrocycle docking tutorials (using developmental version of DOCK).
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Tutorial on using DOCK 6 Chimera X plugin