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

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

Learn how to perform a pharmacophore search using CSD-CrossMiner in this CSDU (self-guided on-demand training) module “Pharmacophore Searching 101 – Introduction to CSD-CrossMiner”. 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... ). In this CSDU module, we will explore the basics of pharmacophore searching with CSD-CrossMiner including an introduction to the purpose of pharmacophore searching and building pharmacophore queries. No prior knowledge of CSD-CrossMiner is assumed, however some familiarity with life sciences is desirable. In this video: -00:04 Introduction to CSD-CrossMiner -00:16 Learning outcomes -00:42 Overview of the CSD Software portfolio -01:30 Origin and development of CSD-CrossMiner -01:57 Purpose and applications of CSD-CrossMiner -07:24 CSD-CrossMiner Feature Databases -10:16 Definitions and explanations of pharmacophores, pharmacophore features and pharmacophore points -13:52 Creating pharmacophore features in CSD-CrossMiner -15:12 Customising pharmacophore features and excluding occupied volume -16:05 Definition and construction of pharmacophore queries -17:52 Example pharmacophore query – assigning location, molecule type, tolerance radius and adding intra/intermolecular constraints -20:10 Pharmacophore features: under the hood -22:10 Typical workflow for pharmacophore searching in CSD-CrossMiner -22:55 Brief overview of the CSD-CrossMiner interface After watching this video, continue your CSDU module with the “Introduction to Pharmacophore Searching – CSD-CrossMiner 101” demo tutorial linked at the end of this video and in this playlist    • CSDU: Pharmacophore Searching 101 - I...  . You can then complete the U Try and U Test parts of this module on our website to earn a completion certificate: https://www.ccdc.cam.ac.uk/community/... . On the website you will also find the slides from this introductory lesson. Follow us on social media: Instagram: @ccdc_cambridge X: @ccdc_cambridge Facebook: Cambridge Crystallographic Data Centre (CCDC) (ccdc.cambridge)