Predicting conformational entropy of bond vectors in proteins by networks of coupled rotators

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In a two-dimensional (2D) opticalspectrum of a multilevelsystem,there are diagonal peaks and off-diagonal cross-peaks that correlatethe different levels. The time-dependent properties of these diagonalpeaks and cross-peaks contain much information about th ...

Structure determination of amorphous materials remains challenging, owing to the disorder inherent to these materials. Nuclear magnetic resonance (NMR) powder crystallography is a powerful method to determine the structure of molecular solids, but disorder ...

Proteins, the central building blocks of life, play pivotal roles in nearly every biological function. To do so, these macromolecular structures interact with their surrounding environment in complex ways, leading to diverse functional behaviors. The predi ...

The present invention relates to a computer-implemented method for engineering the interaction between a protein and a cognate peptide that are capable of forming a molecular complex, wherein the method comprises (a) preparing in silico a library of test p ...

Recent neutron-diffraction experiments in honeycomb CrI3 quasi-2D ferromagnets have evinced the existence of a gap at the Dirac point in their spin-wave spectra. The existence of this gap has been attributed to strong in-plane Dzyaloshinskii-Moriya or Kita ...

De novo protein design enhances our understanding of the principles that govern protein folding and interactions, and has the potential to revolutionize biotechnology through the engineering of novel protein functionalities. Despite recent progress in comp ...

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 ...

The properties of a physical system only exist in relation to its environment. This thesis presents the development of a novel spin qubit scanning probe microscope operating over a wide range of environmental conditions. The qubit, which sits at the heart ...

Native reactive electrophile species (RES) such as 4-hydroxynonenal (HNE) act as cellular signals through covalent modification of kinetically-privileged electrophile sensor proteins. Research efforts in the field focus mainly on identifying these sensor p ...

The rapid progress in the field of deep learning has had a significant impact on protein design. Deep learning methods have recently produced a breakthrough in protein structure prediction, leading to the availability of high-quality models for millions of ...

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 ...

Observing proteins as they perform their tasks has largely remained elusive, which has left our understanding of protein function fundamentally incom- plete. To enable such observations, we have recently proposed a technique that improves the time resoluti ...

Herein, we report a novel strategy for the modification of peptides based on the introduction of highly reactive hypervalent iodine reagents-ethynylbenziodoxolones (EBXs)-onto peptides. These peptide-EBXs can be readily accessed, by both solution- and soli ...

Predicting conformational entropy of bond vectors in proteins by networks of coupled rotators

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Measuring the Ultrafast Correlation Dynamics of a Multilevel System Using the Center Line Slope Analysis in Two-Dimensional Electronic Spectroscopy

Atomic-level structure determination of amorphous molecular solids by NMR

A Geometric Transformer for Structural Biology: Development and Applications of the Protein Structure Transformer

Computer-implemented design of peptide:receptor signaling complexes for enhanced chemotaxis

Magnon-phonon interactions enhance the gap at the Dirac point in the spin-wave spectra of CrI3 two-dimensional magnets

De novo protein design by inversion of the AlphaFold structure prediction network

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

A diamond spin qubit scanning probe microscope

Towards Uncovering the Mechanisms of Electrophile Sensing and Signaling

A new age in protein design empowered by deep learning

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

Fast viral dynamics revealed by microsecond time-resolved cryo-EM

Peptide-Hypervalent Iodine Reagent Chimeras: Enabling Peptide Functionalization and Macrocyclization