Papers: 10.1021/acs.jctc.0c00634

https://doi.org/10.1021/acs.jctc.0c00634

Virtual Double-System Single-Box: A Nonequilibrium Alchemical Technique for Absolute Binding Free Energy Calculations: Application to Ligands of the SARS-CoV-2 Main Protease

Cited by: 26
Author(s): Marina Macchiagodena, Marco Pagliai, Maurice Karrenbrock, Guido Guarnieri, F. Iannone, Piero Procacci
Published: almost 6 years ago

Software Mentions 2