MHCBI: a Pipeline for Calculating Peptide-Mhc Binding Energy Using Semi-Empirical Quantum Mechanical Methods with Explicit/implicit Solvent Models
Briefings in Bioinformatics（2021）
关键词
semi-empirical quantum mechanical method,PM6-D3H4,FMO-DFTB3,peptide-MHC interaction,binding energy
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