Ligand Gaussian accelerated molecular dynamics 2 (LiGaMD2): Improved calculations of ligand binding thermodynamics and kinetics with closed protein pocket https://www.biorxiv.org/content/10.1101/2022.12.16.520748v1?med=mas
Ligand Gaussian accelerated molecular dynamics 2 (LiGaMD2): Improved calculations of ligand binding thermodynamics and kinetics with closed protein pocket https://www.biorxiv.org/content/10.1101/2022.12.16.520748v1?med=mas