An Effective MM/GBSA Protocol for Absolute Binding Free Energy Calculations: A Case Study on SARS-CoV-2 Spike Protein and the Human ACE2 Receptor.
Molecules. 2021 Apr 20;26(8):2383. doi: 10.3390/molecules26082383.
Molecules. 2021.
PMID: 33923909
Free PMC article.