Enhancing the Signaling of GPCRs via Orthosteric Ions

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The phenomenon of allostery, a general property in proteins that has been heralded as "the second secret of life" remains elusive to our understanding and even more challenging to incorporate into protein design. One example of allosteric proteins with gre ...

The application of computational biology in drug development for membrane protein targets has experienced a boost from recent developments in deep learning-driven structure prediction, increased speed and resolution of structure elucidation, machine learni ...

G-protein-coupled receptors (GPCRs) are key regulators of human physiology and are the targets of many small-molecule research compounds and therapeutic drugs. While most of these ligands bind to their target GPCR with high affinity, selectivity is often l ...

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Transmembrane protein 16 F (TMEM16F) is a Ca2+-activated homodimer which functions as an ion channel and a phospholipid scramblase. Despite the availability of several TMEM16F cryogenic electron microscopy (cryo-EM) structures, the mechanism of activation ...

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Octahedral coordination cages of the general formula Pd6L1212 were obtained by combining Pd(CH3CN)42 with heteroditopic N-donor ligands. Four different ligands were employed. These ligands have 3-pyridyl donor groups at one end and 4-pyridyl, ...

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Enhancing the Signaling of GPCRs via Orthosteric Ions

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From Sequence to Dynamics to Function: Computational Design of Allostery and Ligand Selectivity in G-Protein Coupled Receptors

Computational drug development for membrane protein targets

Antibodies expand the scope of angiotensin receptor pharmacology

Palladium-based supramolecular assemblies: from complex structures to water-soluble anion-receptors

Structural heterogeneity of the ion and lipid channel TMEM16F

Cyclic Peptides for Drug Development

HaloTag-Based Tools for Live-Cell Imaging and Elucidation of Organellar Redox Biology

Recording physiological history of cells with chemical labeling

Machine learning-aided generative molecular design

Orientational Self-Sorting in Octahedral Palladium Cages: Scope and Limitations of the “cis Rule”

Ru(II)-Arene Complexes of Curcumin and Bisdesmethoxycurcumin Metabolites

Engineering novel protein interactions with therapeutic potential using deep learning-guided surface design

Drug Screening in C. elegans to identify new pharmacological mitochondrial stress inducers

Characterization of the gut-bone marrow axis through bile acid signaling

Tuning Pore Size in Graphene in the Angstrom Regime for Highly Selective Ion-Ion Separation

Unveiling the complexity of learning and decision-making

Ultraviolet Superradiance from Mega-Networks of Tryptophan in Biological Architectures

Exploring the interplay of molecular pattern and valency for selective interactions at the bio-interface

Microfluidic device combining hydrodynamic and dielectrophoretic trapping for the controlled contact between single micro-sized objects and application to adhesion assays

Unlocking Hidden Potential: Exploring the Complexities of Signaling in Immune Cell Activation to Optimize CAR Therapy