Search
Search Results
-
Discovery on Scientific Cutting Phenomenon
The switch for adjusting machining stability is listed as stabilizer E in the Mitsubishi RA90 parameter library, which is detailed in Chap....
-
Chemical synthesis and materials discovery
Functional materials impact every area of our lives, from electronic and computing devices to transportation and health. Here we examine the...
-
Accelerating the discovery of alkyl halide-derived natural products using halide depletion
Even in the genomic era, microbial natural product discovery workflows can be laborious and limited in their ability to target molecules with...
-
DNA-encoded library-enabled discovery of proximity-inducing small molecules
Small molecules that induce protein–protein associations represent powerful tools to modulate cell circuitry. We sought to develop a platform for the...
-
Consensus holistic virtual screening for drug discovery: a novel machine learning model approach
In drug discovery, virtual screening is crucial for identifying potential hit compounds. This study aims to present a novel pipeline that employs...
-
Benchmarking compound activity prediction for real-world drug discovery applications
Identifying active compounds for target proteins is fundamental in early drug discovery. Recently, data-driven computational methods have...
-
Nucleophilic covalent ligand discovery for the cysteine redoxome
With an eye toward expanding chemistries used for covalent ligand discovery, we elaborated an umpolung strategy that exploits the ‘polarity reversal’...
-
Decrypting orphan GPCR drug discovery via multitask learning
The drug discovery of G protein-coupled receptors (GPCRs) superfamily using computational models is often limited by the availability of protein...
-
Scientific School of Academician V.Yu. Kukushkin at St. Petersburg University (A Review)
AbstractThe article provides a review of the scientific research of Academician V.Yu. Kukushkin and his students on the reactivity of coordination...
-
Multidisciplinary and multiscale nanoscience research roadmap based on large scientific facilities
With the advancement of modern science and technology, large scientific facilities are increasingly oriented toward demand and application, and can...
-
Materials discovery of ion-selective membranes using artificial intelligence
Significant attempts have been made to improve the production of ion-selective membranes (ISMs) with higher efficiency and lower prices, while the...
-
Discovery of an Aldo-Keto reductase 1C3 (AKR1C3) degrader
Aldo-keto reductase 1C3 (AKR1C3) is a protein upregulated in prostate cancer, hematological malignancies, and other cancers where it contributes to...
-
A review on recent theoretical approaches made in the discovery of potential Covid-19 therapeutics
SARS CoV-2 virus (COVID-19) emerged as a highly infectious human pathogen in late 2019. Started in China but rapidly started spreading all over the...
-
Combinatorial synthesis for AI-driven materials discovery
Combinatorial synthesis of solid-state materials comprises the use of automation or parallelization to systematically vary synthesis parameters. This...
-
Target identification of small molecules: an overview of the current applications in drug discovery
Target identification is an essential part of the drug discovery and development process, and its efficacy plays a crucial role in the success of any...
-
Surface-enhanced Raman spectroscopy for drug discovery: peptide-RNA binding
The ever-growing demand for new drugs highlights the need to develop novel cost- and time-effective techniques for drug discovery. Surface-enhanced...
-
Discovery of potent inhibitors of α-synuclein aggregation using structure-based iterative learning
Machine learning methods hold the promise to reduce the costs and the failure rates of conventional drug discovery pipelines. This issue is...
-
EMNPD: a comprehensive endophytic microorganism natural products database for prompt the discovery of new bioactive substances
The discovery and utilization of natural products derived from endophytic microorganisms have garnered significant attention in pharmaceutical...
-
Databases for Drug Discovery and Development
Computational drug design and discovery have taken center stage attention during the time of COVID-19. The science community acknowledges the...
-
Discovery of metal-binding proteins by thermal proteome profiling
Metal-binding proteins (MBPs) have various and important biological roles in all living species and many human diseases are intricately linked to...
