The genetic architecture of protein interaction affinity and specificity

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Copyright © 2024 the Author(s). Published by PNAS.Liquid-liquid phase separation (LLPS) is an intracellular process widely used by cells for many key biological functions. It occurs in complex and crowded environments, where amino acids (AAs) are vital com ...

The development of targeted therapies offers new hope for patients affected by incurable cancer. However, multiple challenges persist, notably in controlling tumor cell plasticity in patients with refractory and metastatic illness. Neuroblastoma (NB) is an ...

Redox homeostasis is a key factor in maintaining cellular function and health. The main determinant of the intracellular redox potential is ubiquitous glutathione (GSH) together with its oxidized dimer (GSSG). Importantly, both redox equilibrium and GSH ho ...

Genetic and cellular drivers of the cellular uptake of SARS-CoV-2 can be screened at high throughput via droplet microfluidics and size-exclusion methods for the analysis of the formation of fusions between cells expressing the virus's spike protein and ce ...

Knowledge-based approaches use the statistics collected from protein data-bank structures to estimate effective interaction potentials between amino acid pairs. Empirical relations are typically employed that are based on the crucial choice of a reference ...

A method for determining the presence of a molecule coupled to the cytoplasmic side of a cellular membrane is disclosed. The method is implemented in a microfluidic setting and is particularly suitable for determining the presence and/or the activity of a ...

We report the molecular basis of the largest Tunisian cohort with inherited retinal dystrophies (IRD) reported to date, identify disease-causing pathogenic variants and describe genotype-phenotype correlations. A subset of 26 families from a cohort of 73 f ...

Enhanced understanding of normal and malignant hematopoiesis pathways should facilitate the development of effective clinical treatment strategies for hematopoietic malignancies. Nuclear receptor corepressor 1 (NCoR1) has been implicated in transcriptional ...

We describe the computational design of proteins that bind the potent analgesic fentanyl. Our approach employs a fast docking algorithm to find shape complementary ligand placement in protein scaffolds, followed by design of the surrounding residues to opt ...

Short alpha-helical peptides stabilized by linkages between constituent amino acids offer an attractive format for ligand development. In recent years, a range of excellent ligands based on stabilized alpha-helices were generated by rational design using a ...

The application of fluorescent receptor ligands has become widespread, incited by two important reasons. “Seeing is believing”—it is possible to visualize in real time in live cells ligand–receptor interactions, and to locate the receptors with subcellular ...

Understanding the binding mode of agonists to adrenergic receptors is crucial to enabling improved rational design of new therapeutic agents. However, so far the high conformational flexibility of G protein-coupled receptors has been an obstacle to obtaini ...

The Laboratory of Computational Chemistry and Biochemistry is active in the development and application of first-principles based simulations of complex chemical and biochemical phenomena. Here, we review some of our recent efforts in extending these metho ...

The genetic architecture of protein interaction affinity and specificity

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Amino acids modulate liquid-liquid phase separation in vitro and in vivo by regulating protein-protein interactions

Preclinical spheroid models identify BMX as a therapeutic target for metastatic MYCN nonamplified neuroblastoma

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

Screening for drivers of SARS-CoV-2 uptake

Statistical potentials from the Gaussian scaling behaviour of chain fragments buried within protein globules

Method and system for determining intracellular mediators' activity

Genetic spectrum of retinal dystrophies in Tunisia

The nuclear receptor corepressor NCoR1 regulates hematopoiesis and leukemogenesis in vivo

Computational design of environmental sensors for the potent opioid fentanyl

Phage selection of chemically stabilized alpha-helical peptide ligands

Characterization and Validation of Fluorescent Receptor Ligands: A Case Study of the Ionotropic Serotonin Receptor

Predicting Novel Binding Modes of Agonists to β Adrenergic Receptors Using All-Atom Molecular Dynamics Simulations

Pushing the Frontiers of First-Principles Based Computer Simulations of Chemical and Biological Systems