"Discovery of allosteric SHP2 inhibitors through ensemble-based consensus ..."

Maryam Jama et al. (2023)

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DOI: 10.1016/J.COMPBIOMED.2022.106442

access: closed

type: Journal Article

metadata version: 2023-09-30

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Maryam Jama, Marawan Ahmed, Anna Jutla, Carson Wiethan, Jitendra Kumar, Tae Chul Moon, Frederick West, Michael Overduin, Khaled H. Barakat:
Discovery of allosteric SHP2 inhibitors through ensemble-based consensus molecular docking, endpoint and absolute binding free energy calculations. Comput. Biol. Medicine 152: 106442 (2023)

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