Papers: 10.1039/c9sc04705k

https://doi.org/10.1039/c9sc04705k

Adapting free energy perturbation simulations for large macrocyclic ligands: how to dissect contributions from direct binding and free ligand flexibility

Cited by: 19
Author(s): Kerstin Wallraven, Fredrik L. Holmelin, Adrian Glas, Sven Hennig, Andrey I. Frolov, Tom N. Grossmann
Published: over 6 years ago

Software Mentions 1