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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

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

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

All scripts for this tutorial can be found in: == Querying ZINC for Protomers ==

Here is the tutorial for building a ChEMBL for SEA based from Matt O'Meara's scripts ...he new version of ChEMBL library that you are trying to build is loaded on ZINC. Ask John or Khanh for loading the new library.

...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

...e premade db2.tgz files, for example from the zinc22 3D archive, start the tutorial here. ...this example is a suggestion applicable only if you've been following the tutorial up to this point.

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 This tutorial is now superseded by[[DOCK 3.7 2018/06/05 abl1 Tutorial]].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

...of sequence as corresponding to the TM5 helix, and even when they agree, i+4 variations (that is, alignments out of register to one another by one helic ...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].

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