A. Douangamath

Allosteric regulation and crystallographic fragment screening of SARS-CoV-2 NSP15 endoribonuclease

This study characterizes SARS-CoV-2 NSP15 endoribonuclease, identifies its allosteric properties, and discovers new allosteric sites for inhibitor development.

Room-temperature crystallography reveals altered binding of small-molecule fragments to PTP1B

This study compares cryo and room-temperature crystallography of PTP1B with small-molecule fragments, showing RT reveals different binding modes and conformational changes.

Structure, Mechanism and Crystallographic fragment screening of the SARS-CoV-2 NSP13 helicase

This study presents crystal structures of SARS-CoV-2 NSP13 and identifies druggable pockets, revealing potential targets for antiviral drug development through fragment screening.

Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking

The paper identifies new chemical fragments binding to the SARS-CoV-2 Nsp3 macrodomain through crystallographic screening and computational docking, validating their binding with biophysical techniques.

Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease

The paper identifies fragment hits against SARS-CoV-2 main protease using crystallography and mass spectrometry, revealing structural insights for drug design.

Rapid covalent-probe discovery by electrophile fragment screening

This study develops a method for discovering covalent probes using electrophile fragment screening and identifies selective inhibitors for OTUB2 and NUDT7.

Gentle, fast and effective crystal soaking by acoustic dispensing

The paper describes a high-throughput method for crystal soaking using acoustic droplet ejection, showing it is gentle, fast, and effective for generating protein-ligand complexes.