Dithiol amino acids can structurally shape and enhance the ligand-binding properties of polypeptides

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The density of a protein molecule is a key property within a variety of experimental techniques. We present a computational method for determining protein mass density that explicitly incorporates hydration effects. Our approach uses molecular dynamics sim ...

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Computational models starting from large ensembles of evolutionarily related protein sequences capture a representation of protein families and learn constraints associated to protein structure and function. They thus open the possibility for generating no ...

Proteins control nearly every facet of life on a molecular level. Proteins are formed from linear strings of amino acids, which fold into three-dimensional structures that can enact functions. Evolution has created highly efficient proteins in diverse fold ...

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Dithiol amino acids can structurally shape and enhance the ligand-binding properties of polypeptides

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Computational design of complex protein folds and soluble analogs of membrane proteins

The effect of hydration and dynamics on the mass density of single proteins

Structural basis of BAK sequestration by MCL-1 in apoptosis

Surface enhanced nuclear magnetic resonance spectroscopy at solid-liquid interfaces using Overhauser dynamic nuclear polarization

Modulating Weak Protein-Protein Cross-Interactions by the Addition of Free Amino Acids at Millimolar Concentrations

Predicting protein interactions using geometric deep learning on protein surfaces

Investigating the intra-molecular and inter-molecular effects of post-translational modifications on intrinsically disordered protein regions and structured protein regions

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

Opportunities and challenges in design and optimization of protein function

Microsecond Time-Resolved Cryo-Electron Microscopy

Beyond the coupled distortion model: structural analysis of the single domain cupredoxin AcoP, a green mononuclear copper centre with original features

Towards improving full-length ribosome density prediction by bridging sequence and graph-based representations

Prolamins' 3D structure: A new insight into protein modeling using the language of numbers and shapes

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

Generative power of a protein language model trained on multiple sequence alignments

De novo designed proteins: a study in engineering novel folds and functions

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

Antibody-peptide conjugates for targeted inhibition of cysteine proteases

Atomic-level structure determination of amorphous molecular solids by NMR

Development of tools and methods for protein identification: From single molecules to in vivo applications