Data For "Finding Druggable Sites in Proteins using TACTICS"

Data For "Finding Druggable Sites in Proteins using TACTICS"

This upload contains data for the TACTICS paper. tactics_output.zip contains the output obtained by running the TACTICS binding-site finding algorithm on three protein systems: the aryl carrier protein (ArCP), the SARS-CoV-2 main protease (M-pro or 3CLpro), and the SARS-CoV-2 2'-O RNA methyltra...

Ausführliche Beschreibung

Gespeichert in:
Bibliographische Detailangaben
Hauptverfasser: Evans, Daniel J., Yovanno, Remy A., Rahman, Sanim, Cao, David W., Beckett, Morgan Q., Patel, Milan H., Bandak, Afif F., Lau, Albert Y.
Format: Dataset
Sprache:eng
Schlagworte:
Molecular Dynamics
SARS-CoV-2
yersinia pestis
Online-Zugang:Volltext bestellen
Tags: Tag hinzufügen
Keine Tags, Fügen Sie den ersten Tag hinzu!
Beschreibung
Zusammenfassung:This upload contains data for the TACTICS paper. tactics_output.zip contains the output obtained by running the TACTICS binding-site finding algorithm on three protein systems: the aryl carrier protein (ArCP), the SARS-CoV-2 main protease (M-pro or 3CLpro), and the SARS-CoV-2 2'-O RNA methyltransferase (MTase). MTase.tar.gz contains MD simulation data for the SARS-CoV-2 nsp10/nsp16 dimer (methyltransferase). M-pro.tar.gz contains MD simulation data for the SARS-CoV-2 main protease. ArCP.tar.gz contains MD simulation data for the yersinia pestis aryl carrier protein in apo, holo, and loaded forms
DOI:10.5281/zenodo.4538910