Title: MD simulation of SARS-Coronavirus-2 main protease in complex with X77 inhibitor

Type Other Gerletti Pietro, Schaller David (2020): MD simulation of SARS-Coronavirus-2 main protease in complex with X77 inhibitor. Zenodo. Other. https://zenodo.org/record/3910753

Author: Gerletti Pietro, Schaller David (Charité Berlin) ;

Links

• Item record in Zenodo
• Digital object URL

Summary

Results of 1 ns MD simulation of SARS-Coronavirus-2 main protease in complex with X77 inhibitor and the files needed to reproduce the (computational) experiment. The original PDB, the PDB "fixed" with MOE and the results of the simulation

More information

• DOI: 10.5281/zenodo.3910753

Dates

• Publication date: 2020
• Issued: June 27, 2020

Rights

• https://creativecommons.org/licenses/by/4.0/legalcode Creative Commons Attribution 4.0 International
• info:eu-repo/semantics/openAccess Open Access

Format

electronic resource

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