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Published November 28, 2023 | Version v1
Data paper Restricted

Helping the intruder: Heparan sulfates and N-glycans foster SARS-CoV-2 spike:ACE2 receptor binding and virus priming

Authors/Creators

  • 1. ROR icon Heidelberg University
  • 2. ROR icon DKFZ-ZMBH Alliance
  • 3. ROR icon Heidelberg Institute for Theoretical Studies
  • 4. Università degli Studi di Brescia

Contributors

  • 1. ROR icon Heidelberg Institute for Theoretical Studies
  • 2. ROR icon Heidelberg University
  • 3. ROR icon DKFZ-ZMBH Alliance

Description

This dataset contains coordinate files and tcl scripts for running and analysing dynamics simulations (conventional and RAMD) of fully glycosylated spike:ACE2 without and with heparin chains bound. Additionally, scripts for executing and analysing Force Distribution Analysis (FDA) of the trajectories are provided.

The associated study is described in:

"Helping the intruder: Heparan sulfates and N-glycans foster SARS-CoV-2 spike:ACE2 receptor binding and virus priming", Giulia Paiardi, Matheus Ferraz, Marco Rusnati, Rebecca C. Wade. Submitted.

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Additional details

Funding

Deutsche Forschungsgemeinschaft
meCoCan project 458623378
Klaus Tschira Foundation
DKFZ-ZMBH Alliance
Joachim Herz Stiftung
German Academic Exchange Service
CAPES/DAAD bi-nationally supervised doctoral degree 57507871
Heidelberg University
Ministerium für Wissenschaft, Forschung und Kunst Baden-Württemberg