MCCS Examples

This repository will host all MCCS (Molecular Complex Characterizing System) examples for NPROT (Nature Protocols)

Example 1: COVID-19

In this example, we performed MCCS virtual screening against the determined SARS-CoV-2 3CL^pro structure using approved drugs on DrugBank. This paper was originally published and elaborated on BIB (Briefing in Bioinformatics) and is further referenced in an NPROT paper. Please see our original paper below for the detailed discussion.

Citation

Zhiwei Feng, Maozi Chen, Ying Xue, Tianjian Liang, Hui Chen, Yuehan Zhou, Thomas Nolin, and Xiang-Qun Xie. MCCS: A Novel Recognition Pattern-based Method for Fast Track Discovery of anti-SARS-CoV-2 drugs. Briefings in Bioinformatics. 2021, 2, 22, 946–962

https://doi.org/10.1093/bib/bbaa260

https://pubmed.ncbi.nlm.nih.gov/33078827/