Related papers: NMR Spectroscopy Can Help Accelerate Antiviral Dru…
In vivo H nuclear magnetic resonance (NMR) spectroscopy is an important tool for performing non-invasive quantitative assessments of brain tumour glucose metabolism. Brain tumours are considered fast-growth tumours because of their high…
Central nervous system (CNS) tumors come with the vastly heterogeneous histologic, molecular and radiographic landscape, rendering their precise characterization challenging. The rapidly growing fields of biophysical modeling and radiomics…
Chemical imaging provides information about the distribution of chemicals within a target. When combined with structural information about the target, in situ chemical imaging opens the door to applications ranging from tissue…
In contemporary pathology, multiplexed immunofluorescence (mIF) and multiplex immunohistochemistry (mIHC) present both significant opportunities and challenges. These methodologies shed light on intricate tumor microenvironment…
Digital investigators often get involved with cases, which seemingly point the responsibility to the person to which the computer belongs, but after a thorough examination malware is proven to be the cause, causing loss of precious time.…
Contaminated substances such as counterfeit medication and food contami-nated with pesticide residue is a pandemic of utmost urgency. Spectroscopy and chromatography methods are often used but are expensive and complex and as such a need…
A procedure is described for storing a 2D pattern consisting of 32x32 = 1024 bits in a spin state of a molecular system and then retrieving the stored information as a stack of NMR spectra. The system used is a nematic liquid crystal, the…
Drug discovery is the most expensive, time demanding and challenging project in biopharmaceutical companies which aims at the identification and optimization of lead compounds from large-sized chemical libraries. The lead compounds should…
Conventional nuclear magnetic resonance (NMR) spectroscopy relies on acquiring signal from a macroscopic ensemble of molecules to gain information about molecular structure and dynamics. Transferring this technique to nanoscale sample sizes…
After the completion of human genome sequence was anounced, it is evident that interpretation of DNA sequences is an immediate task to work on. For understanding their signals, improvement of present sequence analysis tools and developing…
Despite its fundamental importance and widespread use for assessing reaction success in organic chemistry, deducing chemical structures from nuclear magnetic resonance (NMR) measurements has remained largely manual and time consuming. To…
Mathematical models describing SARS-CoV-2 dynamics and the corresponding immune responses in patients with COVID-19 can be critical to evaluate possible clinical outcomes of antiviral treatments. In this work, based on the concept of virus…
Practically, all chemotherapeutic agents lead to drug resistance. Clinically, it is a challenge to determine whether resistance arises prior to, or as a result of, cancer therapy. Further, a number of different intracellular and…
Scanning probe microscopy is one of the most versatile windows into the nanoworld, providing imaging access to a variety of sample properties, depending on the probe employed. Tunneling probes map electronic properties of samples, magnetic…
Modeling viral dynamics in HIV/AIDS studies has resulted in a deep understanding of pathogenesis of HIV infection from which novel antiviral treatment guidance and strategies have been derived. Viral dynamics models based on nonlinear…
Nuclear Magnetic Resonance (NMR) spectrometry uses electro-frequency pulses to probe the resonance of a compound's nucleus, which is then analyzed to determine its structure. The acquisition time of high-resolution NMR spectra remains a…
Antibodies play a central role in the immune response by specifically recognizing and neutralizing antigens, and therapeutic antibodies have become major drugs for cancer and autoimmune diseases. However, their discovery still relies on…
Nuclear Magnetic Resonance (NMR) spectroscopy is an efficient technique to analyze chemical mixtures in which one acquires spectra of the chemical mixtures along one ore more dimensions. One of the important issues is to efficiently analyze…
Effective property prediction methods can help accelerate the search for COVID-19 antivirals either through accurate in-silico screens or by effectively guiding on-going at-scale experimental efforts. However, existing prediction tools have…
Structure-based drug design uses three-dimensional geometric information of macromolecules, such as proteins or nucleic acids, to identify suitable ligands. Geometric deep learning, an emerging concept of neural-network-based machine…