Macs in Chemistry

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Update on the next RSC CICAG Open Source Tools for Chemistry workshops


Update on the next RSC CICAG Open Source Tools for Chemistry workshops

PDBe Knowledge Base

This workshop explores the Protein Data Bank in Europe Knowledge Base (PDBe-KB resource and its tools for the investigation, analysis, and interpretation of biomacromolecular structures. PDBe-KB brings together data from all PDB entries and displays this data as aggregated information for individual proteins, including ligand binding sites, macromolecular interactions and more. Furthermore, this community-led resource brings together structural and functional information from a host of other related resources. In this workshop, you will learn how to use the PDBe-KB aggregated views for proteins to investigate structural and function information for proteins and their associated ligands. We will also demonstrate effective use of novel visualisation components of large-scale structural data on these pages, including 3D visualisation of superposed protein structures with their bound ligands.

2.00 PDBe-KB talk (30 min) - David Armstrong
2.30 Intro to tutorials (15 min) - David Armstrong
2.45 Break (10 min)
2.55 Intro to Biochemgraph project & ligand pages (25 min) - Preeti Choudhary
3.20 PDBe-KB ligand page design session (20 min) - Preeti Choudhary
3.40 Q&A (20 min) - David Armstrong and Preeti Choudhary
4.00 End of session

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