Tytuł
Incorporating Prior Knowledge in the Seeds of Adaptive Sampling Molecular Dynamics Simulations of Ligand Transport in Enzymes with Buried Active Sites.
Typ
Publikacja
Autor
Sarkar DK, Surpeta B, Brezovsky J.
Rok
2024
Czasopismo
J Chem Theory Comput
Wolumen
20(14):5807-5819
Strony
10.1021/acs.jctc.4c00452