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Discovery of allosteric SHP2 inhibitors through ensemble-based consensus molecular docking, endpoint and absolute binding free energy calculations |
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Titel: |
Discovery of allosteric SHP2 inhibitors through ensemble-based consensus molecular docking, endpoint and absolute binding free energy calculations |
Auteur: |
Jama, Maryam Ahmed, Marawan Jutla, Anna Wiethan, Carson Kumar, Jitendra Moon, Tae Chul West, Frederick Overduin, Michael Barakat, Khaled H. |
Verschenen in: |
Computers in biology and medicine |
Paginering: |
Jaargang 152 () nr. C pagina's p. |
Jaar: |
2023 |
Inhoud: |
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Uitgever: |
Elsevier Ltd |
Bronbestand: |
Elektronische Wetenschappelijke Tijdschriften |
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