定量方法
Brillouin microscopy has recently emerged as a new bio-imaging modality that provides information on the micromechanical properties of biological materials, cells and tissues. The data collected in a typical Brillouin microscopy experiment…
Traditional animal testing for toxicity is expensive, time consuming, ethically questioned, sometimes inaccurate because of the necessity to extrapolate from animal to human, and in most cases not formally validated according to modern…
One of the biggest issues currently plaguing the field of medicine is the lack of an accurate and efficient form of disease diagnosis especially in urban settings such as major cities. For example, the two most commonly utilized test…
The accurate prediction of tandem mass spectra from molecular structures has the potential to unlock new metabolomic discoveries by augmenting the community's libraries of experimental reference standards. Cheminformatic spectrum prediction…
Dimensional reduction techniques have long been used to visualize the structure and geometry of high dimensional data. However, most widely used techniques are difficult to interpret due to nonlinearities and opaque optimization processes.…
Nanopore resistive pulse sensors are emerging technologies for single-molecule protein sequencing. But they can hardly detect small post-translational modifications (PTMs) such as hydroxylation in single-molecule level. While a combination…
Many natural phenomena are intrinsically causal. The discovery of the cause-effect relationships implicit in these processes can help us to understand and describe them more effectively, which boils down to causal discovery about the data…
The theory of small-amplitude waves propagating across a blood vessel junction has been well established with linear analysis. In this study we consider the propagation of large-amplitude, nonlinear waves (i.e. shocks and rarefactions)…
Predicting the solubility of given molecules remains crucial in the pharmaceutical industry. In this study, we revisited this extensively studied topic, leveraging the capabilities of contemporary computing resources. We employed two…
Generative protein language models are a natural way to design new proteins with desired functions. However, current models are either difficult to direct to produce a protein from a specific family of interest, or must be trained on a…
Therapeutic peptides represent a unique class of pharmaceutical agents crucial for the treatment of human diseases. Recently, deep generative models have exhibited remarkable potential for generating therapeutic peptides, but they only…
Surface-enhanced Raman spectroscopy (SERS) is a sensitive label-free optical method that can provide fingerprint Raman spectra of biomolecules such as DNA, amino acids and proteins. While SERS of single DNA molecule has been recently…
The proliferation of microscopy methods for live-cell imaging offers many new possibilities for users but can also be challenging to navigate. We focus here on computational methods that promise to boost live-cell fluorescence microscopy,…
With the global spread and increasing transmission rate of SARS-CoV-2, more and more laboratories and researchers are turning their attention to wastewater-based epidemiology (WBE), hoping it can become an effective tool for large-scale…
Deep generative models have gained significant advancements to accelerate drug discovery by generating bioactive chemicals against desired targets. Nevertheless, most generated compounds that have been validated for potent bioactivity often…
An important aspect in the development of small molecules as drugs or agro-chemicals is their systemic availability after intravenous and oral administration. The prediction of the systemic availability from the chemical structure of a…
Neurological conditions are a major source of movement disorders. Motion modelling and variability analysis have the potential to identify pathology but require profound data. We introduce a systematic dataset of 3D center-out task-space…
The prediction of tumor progression and chemotherapy response has been recently tackled exploiting Tumor Infiltrating Lymphocytes (TILs) and the nuclear protein Ki67 as prognostic factors. Recently, deep neural networks (DNNs) have been…
Formation, maintenance and physiology of high-density protein-enriched organized nanodomains, first observed in electron microscopy images, remains challenging to investigate due to their small sizes. However, these regions regulate…
Implementing insect monitoring systems provides an excellent opportunity to create accurate interventions for insect control. However, selecting the appropriate time for an intervention is still an open question due to the inherent…