Difference between revisions of "2022 DOCK tutorial 2 with PDBID 4ZUD"
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== '''Introduction''' == | == '''Introduction''' == | ||
=== '''DOCK''' === | === '''DOCK''' === | ||
| − | '''DOCK''' is a molecular modeling program that allows you to find lower-energy ligand conformations with respect to a binding surface on a given protein. DOCK utilizes the geometry of the ligand to | + | '''DOCK''' is a molecular modeling program that allows you to find lower-energy ligand conformations with respect to a binding surface on a given protein. DOCK utilizes and manipulates the geometry of the ligand to find the conformation that yields that most favorable interaction with the respective binding site. With this tool, millions of molecules can be rapidly screened against a target protein for the purposes of identifying new drug molecules that are physiologically relevant. |
| + | |||
| + | For more information on DOCK and it's uses, please refer to their online manual: [https://dock.compbio.ucsf.edu/DOCK_6/dock6_manual.htm#GeneralOverview DOCK6 Manual] | ||
Revision as of 12:44, 21 February 2022
Introduction
DOCK
DOCK is a molecular modeling program that allows you to find lower-energy ligand conformations with respect to a binding surface on a given protein. DOCK utilizes and manipulates the geometry of the ligand to find the conformation that yields that most favorable interaction with the respective binding site. With this tool, millions of molecules can be rapidly screened against a target protein for the purposes of identifying new drug molecules that are physiologically relevant.
For more information on DOCK and it's uses, please refer to their online manual: DOCK6 Manual
