W. DeGrado

De novo design of drug-binding proteins with predictable binding energy and specificity

This paper designs drug-binding proteins with low nanomolar affinity and predictable specificity using computational methods, validated by experimental measurements and structural analysis.

De novo Design of Peptides that Bind Specific Conformers of α-Synuclein

This paper introduces a computational method to design peptides that bind specific conformers of α-synuclein fibrils, resulting in a peptide that slows amyloid formation and shows high specificity.

Transient Water Wires Mediate Selective Proton Conduction in Designed Channel Proteins

The paper designs proton-conducting channels that use transient water wires to achieve high selectivity for protons over sodium ions.

Brilacidin, a COVID-19 Drug Candidate, demonstrates broad-spectrum antiviral activity against human coronaviruses OC43, 229E and NL63 through targeting both the virus and the host cell

This study shows brilacidin has broad-spectrum antiviral activity against multiple human coronaviruses by targeting both the virus and host cell heparan sulfate proteoglycans.

Elucidation of the molecular interactions that enable stable assembly and structural diversity in multicomponent immune receptors

The paper identifies a carboxyl-carboxylate clamp motif in transmembrane domains of immune receptors that enables stable assembly and structural diversity through dynamic interactions.