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Proteins are large biomolecules that regulate all living organisms and consist of one or several chains. The primary structure of a protein chain is a sequence of amino acid residues whose three main atoms (alpha-carbon, nitrogen, and…
Nanographene triangulenes with a S = 1 ground state have been used as building blocks of antiferromagnetic Haldane spin chains realizing a symmetry protected topological phase. By means of inelastic electron spectroscopy, it was found that…
We extend recent methods for parametric sequence alignment to the parameter space for scoring RNA folds. This involves the construction of an RNA polytope. A vertex of this polytope corresponds to RNA secondary structures with common…
Crystal nucleation is relevant across the domains of fundamental and applied sciences. However, in many cases its mechanism remains unclear due to a lack of temporal or spatial resolution. To gain insights to the molecular details of…
Cryptochrome flavoproteins are prime candidates for mediating magnetic sensing in migratory animals via the radical pair mechanism (RPM), a spin-dependent process initiated by photoinduced electron transfer. The canonical FAD-tryptophan…
Large RNA molecules often carry multiple functional domains whose spatial arrangement is an important determinant of their function. Pre-mRNA splicing, furthermore, relies on the spatial proximity of the splice junctions that can be…
regulation largely unexplored, in part due to methodological limitations. Indeed, we review evidence demonstrating that commonly used methods, such as transcriptomics, are inadequate because the variability in mRNAs coding for ribosomal…
Motivation: The design of enzymes is as challenging as it is consequential for making chemical synthesis in medical and industrial applications more efficient, cost-effective and environmentally friendly. While several aspects of this…
Predicting protein secondary structures such as alpha helices, beta sheets, and coils from amino acid sequences is essential for understanding protein function. This work presents a transformer-based model that applies attention mechanisms…
Phase-separated biomolecular condensates containing proteins and RNAs can assemble into higher-order structures by forming thermodynamically stable interfaces between immiscible phases. Using a minimal model of a protein/RNA interaction…
Computational RNA design tasks are often posed as inverse problems, where sequences are designed based on adopting a single desired secondary structure without considering 3D conformational diversity. We introduce gRNAde, a geometric RNA…
Phase matching is essential for efficient energy transfer in nonlinear wave-mixing processes. Traditional methods, such as birefringent and quasi-phase matching, have remained conceptually unchanged since their discovery over 60 years ago,…
It is the first step for understanding how RNA structure folds from base sequences that to know how its secondary structure is formed. Traditional energy-based algorithms are short of precision, particularly for non-nested sequences, while…
Spin-1/2 Heisenberg antiferromagnetic chains are excellent one-dimensional platforms for exploring quantum magnetic states and quasiparticle fractionalization. Understanding its quantum magnetism and quasiparticle excitation at the atomic…
Magnetic resonance imaging is a three-dimensional imaging technique, where a gradient of the magnetic field is used to interrogate spin resonances with spatial resolution. The application of this technique to probe the coherence of atoms…
Metasurfaces offer unconventional control of light to shape optical wavefronts within two-dimensional nanoscale structures. A nanostructured metallic thin film can establish an exclusive relationship between its surface structure and…
Light-matter interactions in crystals are powerful tools that seamlessly allow both functionalities of sizeable bandgap modulation and non-invasive spectroscopy. While we often assume that the border between the two regimes of modulation…
Retrosynthesis is essential for designing synthetic pathways for complex molecules and can be revolutionized by AI to automate and accelerate chemical synthesis planning for drug discovery and materials science. Here, we propose a…
Understanding the base pairing of an RNA sequence provides insight into its molecular structure.By mining suboptimal sampling data, RNAprofiling 1.0 identifies the dominant helices in low-energy secondary structures as features, organizes…
In the realm of healthcare, label-free sensing is a vital component for various applications. Micro-photonic technology presents a promising avenue to pursue pivotal goals. With the use of this technology, healthcare professionals and…