×
2023
Discovery of allosteric SHP2 inhibitors through ensemble-based consensus molecular docking, endpoint and absolute binding free energy calculations.
[DOI]
Maryam Jama
,
Marawan Ahmed
,
Anna Jutla
,
Carson Wiethan
,
Jitendra Kumar
,
Tae Chul Moon
,
Frederick West
,
Michael Overduin
,
Khaled H. Barakat
Comput. Biol. Medicine, 2023