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proteins with multiple low-energy conformations and ligand-dependent conformational dynamics). It is well known that current SBVS methods lack capacity to capture and characterize the intrinsic receptor flexibility with ideal cost-effectiveness. In the past few years, cryoelectron microscopy (cryo-EM) was routinely used within the determination of biomolecular assemblies within physiological state. In this work, we review the roles of cryo-EM and ensemble docking methods t