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Enumerative Discovery of Noncanonical Polypeptide Secondary Structures

Drugs from drugs: New chemical insights into a mature concept

From canonical to unique: extension of a lipophilicity scale of amino acids to non-standard residues

Binding of Cholesterol to the N-Terminal Domain of the NPC1L1 Transporter: Analysis of the Epimerization-Related Binding Selectivity and Loop Mutations

Influenza A virus hemagglutinin: from classical fusion inhibitors to proteolysis targeting chimera-based strategies in antiviral drug discovery

Acetylcholinesterase: A Versatile Template to Coin Potent Modulators of Multiple Therapeutic Targets

Quantum mechanical-based strategies in drug discovery: Finding the pace to new challenges in drug design

On the relevance of query definition in the performance of 3D ligand-based virtual screening

Validation of a highly sensitive HaloTag-based assay to evaluate the potency of a novel class of allosteric β-Galactosidase correctors

GT-02287, a brain-penetrant structurally targeted allosteric regulator for glucocerebrosidase show evidence of pharmacological efficacy in models of Parkinson’s disease