Title
Incorporating Prior Knowledge in the Seeds of Adaptive Sampling Molecular Dynamics Simulations of Ligand Transport in Enzymes with Buried Active Sites.
Type
Publication
Author
Sarkar DK, Surpeta B, Brezovsky J.
Year
2024
Journal
J Chem Theory Comput
Volume
20(14):5807-5819
DOI
10.1021/acs.jctc.4c00452