Tutorial of CSDU module "Pharmacophore Searching 101 - Introduction to CSD-CrossMiner" скачать в хорошем качестве

Tutorial of CSDU module "Pharmacophore Searching 101 - Introduction to CSD-CrossMiner"

Learn how to search for pharmacophore hits in the Cambridge Structural Database (CSD) and Protein Data Bank (PDB) in this CSDU (self-guided on-demand training) module “Pharmacophore Searching 101 - Introduction to CSD-CrossMiner”. This tutorial will show step-by-step how to build a pharmacophore query from a reference molecule by adding pharmacophore points based on the locations of functional groups, and how to search a PDB-derived database in CSD-CrossMiner to uncover potential hits. In this introductory video lesson, we will cover: -00:05 Introduction -00:20 Loading a reference molecule into CSD-CrossMiner -01:24 Protonating the reference molecule -02:18 Labelling atoms -03:10 Adding pharmacophore features -06:40 Adding intramolecular constraints -07:02 Saving the pharmacophore query -07:45 Selecting feature databases -09:00 Adjusting search options -09:55 Running the search -10:15 Exploring the search results -13:46 Saving hits -15:05 Browsing a feature database to explore protein binding sites This video forms part of a short course that introduces scientists from a variety of fields such as crystallography, pharmaceutical chemistry, materials and solid form science as well as science educators and students, to pharmacophore searching with CSD-CrossMiner in order to harness the wealth of knowledge in the CSD and PDB. CSD-CrossMiner is included in the CSD-Discovery suite (which is also included with CSD-Enterprise) and requires a desktop installation. See the FAQs on our website for further details on installation (https://www.ccdc.cam.ac.uk/support-an... ). The short course includes videos, demonstrations, guided tutorials, and a test that can be completed at the end to earn a certificate. After watching this video, continue your CSDU module by completing the U Try and U Test parts on our website to earn a completion certificate: link here Find the introductory videos in this playlist:    • CSDU: Pharmacophore Searching 101 - I...   Note: No previous knowledge of CSD-CrossMiner is required, however some knowledge of life sciences is desirable. Follow us on social media: Instagram: @ccdc_cambridge X: @ccdc_cambridge Facebook: Cambridge Crystallographic Data Centre (CCDC) (ccdc.cambridge)