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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]] =

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

This tutorial describes how to use CartBlanche22.docking.org to select chemical space for == Step 2. Use Cartblanche to make your selection ==

...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

* [[Mol2db2 Format 2]] - details on the database formate. * [[DOCKovalent lysine inhibitor design 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

Here is the tutorial for building a ChEMBL for SEA based from Matt O'Meara's scripts This is recommend to have 2 terminal open: one for R and one open the R script. Execute code by chunks

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

Tutorial by Trent Balius (2017/01/30). This tutorial assumes that you have already completed the MD tutorial [[Tutorial on running Molecular Dynamics for GIST grid generation with scripts]].

...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]]. file = line.replace('"',' ').split()[2]