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DTSTAMP:20260619T105053Z
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DTSTART:20210909T140000Z
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DESCRIPTION:Educators: \nKatrin Schöning-Stierand\, Christine Ehrt\, Matth
 ias Rarey (BioData)\n\nDate: \n09.09.2021 \n\nLocation: \nOnline - GCB 202
 1\n\nContents: \nThree-dimensional protein structures are a fundamental ba
 sis for understanding\, modulating\, and manipulating protein functionalit
 y. With almost 175\,000 structures (access date: March 1st\, 2021)\, the P
 rotein Data Bank (PDB) is one of the most important bioinformatics resourc
 es for life sciences. Roughly 1\,000 structures are SARS-CoV-2 structures\
 , forming a good basis for structure-based modeling processes.\nIn this wo
 rkshop\, we present the ProteinsPlus server enriching structural knowledge
  from the PDB by additional computed information required for typical biol
 ogical research questions. ProteinsPlus enables easy access to this inform
 ation for all researchers in the fields of molecular life sciences. The pr
 ovided computational services comprise various tools for the assessment\, 
 representation\, preprocessing\, and interconnection of structural data. M
 any of the provided tools focus on protein binding pockets and molecular i
 nteractions to small molecules due to their relevance for drug design.\nPa
 rticipants will get to know a combination of tools and web services for se
 arching and analyzing protein structure data. The focus will be on protein
  preparation for molecular docking scenarios related to COVID-19. We will 
 work with the ProteinsPlus web service that contains a diverse range of so
 ftware solutions for the analysis of protein structures and its applicatio
 n in molecular modeling approaches.\n \nLearning goals: \nThis course is d
 esigned for life and computer scientists with interest in protein structur
 es\, but only very basic experience in 3D modeling. Topics include: Findin
 g and selecting protein structure data\, evaluating the quality of experim
 ental data\, preprocessing structure data for modeling\, first modeling st
 eps like the analysis of binding site properties and conformational flexib
 ility\, fully automated docking. The usage of the ProteinsPlus tools is fr
 ee and open to all users.\n\nPrerequisites: \nGeneral knowledge of protein
 s and their role in life sciences\n\nKeywords:\nProtein structures\, prote
 in-ligand interactions\, molecular modeling\, structure-to-function relati
 onships\, cheminformatics\, ProteinsPlus\, BRENDA\, EnzymeStructures\, KNI
 ME\n\nTools:\nProteinsPlus\, 
SUMMARY:Exploring Target Structures with ProteinsPlus - GCB 2021
URL;VALUE=URI:https://www.denbi.de/training/1272-exploring-target-structure
 s-with-proteinsplus
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