Experimental and 'in Silico' Analysis of the Effect of Ph on HIV-1 Protease Inhibitor Affinity: Implications for the Charge State of the Protein Ionogenic Groups.
Bioorganic & Medicinal Chemistry（2012）
关键词
pH effect,Ligand binding affinity,HIV-1 PR,Surface plasmon resonance,Molecular mechanics,Ionizable residues,Protonation states,Asp catalytic dyad
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