MCCS (Molecular Complex Characterizing System) examples for papers published on BIB (Briefing in Bioinformatics)
Example 1: GPCR
In this MCCS example, we used MCCS to perform systems pharmocological analysis on the determined X-ray-crystal or cryo-EM structures of G protein-coupled receptors. Please see our paper for detailed discussion.
Maozi Chen, Zhiwei Feng, Siyi Wang, Weiwei Lin, Xiang-Qun Xie. MCCS, a scoring function-based characterization method for protein-ligand binding. Briefings in Bioinformatics. 2020, October 14.
https://doi.org/10.1093/bib/bbaa239
https://pubmed.ncbi.nlm.nih.gov/33051641/
Example 2: COVID-19
In this example, we performed MCCS virtual screening against the determined SARS-CoV-2 3CLpro structure using approved drugs on DrugBank. Please see our paper for detailed discussion.
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