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

preview_player
Показать описание

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

Follow us on social media:
Instagram: @ccdc_cambridge
X: @ccdc_cambridge
Рекомендации по теме