Targeting cryptic-orthosteric site of PD-L1 for inhibitor identification using structure-guided approach
第一作者:
Mittal, Lovika
作者:
关键词
PD-1PD-L1Structure-guided hits identificationImmunotherapyVirtual screeningStructural interaction fingerprintingMolecular dynamics simulationPharmacokinetic propertiesMM-GBSAPBSASMALL-MOLECULE INHIBITORSPROTEIN-PROTEIN INTERACTIONFREE-ENERGY CALCULATIONBINDINGRECEPTORDYNAMICSINSIGHTSMODELPROTONATIONSIMULATION
发布时间
2023-07-04
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