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MCCS (Molecular Complex Characterizing System) examples for papers published on BIB (Briefing in Bioinformatics)

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MCCS Examples

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.

Citation

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.

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/

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MCCS (Molecular Complex Characterizing System) examples for papers published on BIB (Briefing in Bioinformatics)

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