Title : Effect of pH and ligand charge state on BACE-1 fragment docking performance.

Pub. Date : 2013 May

PMID : 23640428






1 Functional Relationships(s)
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1 The pK a values of the BACE-1 acidic residues deviate substantially from the estimates for model compounds in solution and display a ligand dependent variability, especially in the case of the catalytic Asp dyad residues. Aspartic Acid beta-secretase 1 Homo sapiens