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These ZINC tutorials illustrate the use of ZINC by example * [[ZINC:Tutorial 1]] - Download a property-filtered database subset for virtual screening

...cient information, and excessive information. The level of effort for the tutorial is either easy, moderate, or hard. = [[DOCK Blaster:Tutorial 1 | Dock to human thyroid hormone beta-1]] =

...or docking results from ZINC server. Usually, the number is larger than 5M ZINC IDs. 2) Get ZINC ID and energy columns from the extract_all.sort.uniq.txt file

...or docking results from ZINC server. Usually, the number is larger than 5M ZINC IDs. 2) Get ZINC ID and energy columns from the extract_all.sort.uniq.txt file and split the

* Tutorial 1: [[AWS:Set up account]] * Tutorial 2: [[AWS:Upload files for docking]] THIS TUTORIAL

...nown compounds.''' The most simple way to do this is to download them from ZINC. For the Mu opioid receptor (OPRM1) for instance, go here: [https://zinc15 ...filter_ligands_image1.png|thumb|center|1000px|Search for Your Molecules in ZINC Using the UNIPROT Ascension ID for Your Target, for example OPRM1 for the M

...to Mineralocorticoid receptor''' A[[DOCK Blaster:Tutorials | DOCK Blaster Tutorial]]. This tutorial will show you how to retrospectively dock a crystallographically observed l

* Tutorial 1: [[AWS:Set up account]] * Tutorial 2: [[AWS:Upload files for docking]]

...hihydrofolate Reductase (DHFR)''' A[[DOCK Blaster:Tutorials | DOCK Blaster Tutorial]]. This tutorial will show you how to retrospectively dock a crystallographically observed l

...hihydrofolate Reductase (DHFR)''' A[[DOCK Blaster:Tutorials | DOCK Blaster Tutorial]]. This tutorial will show you how to retrospectively dock a crystallographically observed l

...hihydrofolate Reductase (DHFR)''' A[[DOCK Blaster:Tutorials | DOCK Blaster Tutorial]]. This tutorial will show you how to retrospectively dock a crystallographically observed l

...hihydrofolate Reductase (DHFR)''' A[[DOCK Blaster:Tutorials | DOCK Blaster Tutorial]]. This tutorial will show you how to retrospectively dock a crystallographically observed l

...hihydrofolate Reductase (DHFR)''' A[[DOCK Blaster:Tutorials | DOCK Blaster Tutorial]]. This tutorial will show you how to retrospectively dock a crystallographically observed l

updated 5/3/2019 updated 5/18/2020

so that each docking job will only run for 5 minutes before being interrupted. The new subdock.bash script allows submit ...e premade db2.tgz files, for example from the zinc22 3D archive, start the tutorial here.

...il 17, 2015. This tutorial is now superseded by[[DOCK 3.7 2018/06/05 abl1 Tutorial]]. ...SPH%5d%12.3f%8.3f%8.3f%6.2f%6.2f\nTER\n", \$1, \$1, \$2, \$3, \$4, 1, \$5)}' \$1

This tutorial use the 3.7.2 beta version of dock release on April 17, 2015. ...SPH%5d%12.3f%8.3f%8.3f%6.2f%6.2f\nTER\n", \$1, \$1, \$2, \$3, \$4, 1, \$5)}' \$1

...give them a quick look before committing to a larger ensemble. There is a tutorial [https://www.cgl.ucsf.edu/chimera/docs/UsersGuide/tutorials/dor.html here]. ...est models, trim the termini and loops (you can add a short linker of 4 or 5 alanines to avoid creating gaps in the structure) and add disulfide constra