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Journal of Biomolecular Structure and Dynamics 41 (14), 6894-6908 ยท 2023

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Identification of NEK7 inhibitors: structure based virtual screening, molecular docking, density functional theory calculations and molecular dynamics simulations

Authors

M Aziz, SA Ejaz, HM Rehman, ASA Alsubaie, KH Mahmoud, F Siddique, ...

Abstract

Structure-based virtual screening, docking, DFT and MD simulation campaign to identify NEK7 inhibitors.

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