Rational Design of Indoleamine 2,3-Dioxygenase Inhibitors

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The k(off) values of ligands unbinding to proteins are key parameters for drug discovery. Their predictions based on molecular simulation may under- or overestimate experiment in a system- and/or technique-dependent way. Here we use an established method-i ...

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Rational Design of Indoleamine 2,3-Dioxygenase Inhibitors

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Accuracy of Molecular Simulation-Based Predictions of k(off) Values: A Metadynamics Study

Development of Photocatalysts towards the Visible-Light driven C-Terminal Bioconjugation of Peptides and Proteins

Monitoring alpha-synuclein oligomerization and aggregation using bimolecular fluorescence complementation assays: What you see is not always what you get

Enantioselective C(sp(3))-C(sp(3)) cross-coupling of non-activated alkyl electrophiles via nickel hydride catalysis

Extrapolating the Fragment-Based Approach to Inorganic Drug Discovery

Design and validation of bioorthogonal probes for cellular disease models

An optimized and validated 384-well plate assay to test platelet function in a high-throughput screening format

Advancing Drug Discovery via Artificial Intelligence

A Universal Assay for Aminopeptidase Activity and Its Application for Dipeptidyl Peptidase-4 Drug Discovery

Efficient Kinetic Resolution of Sulfur-Stereogenic Sulfoximines by Exploiting (CpRhIII)-Rh-X-Catalyzed C-H Functionalization