A hierarchical screening approach to enantiomeric separation.
Sign Up to like & getrecommendations! Published in 2017 at "Chirality"
DOI: 10.1002/chir.22694
Abstract: The screening of a number of chiral stationary phases (CSPs) with different modifiers in supercritical fluid chromatography to find a chromatographic method for separation of enantiomers can be time-consuming. Computational methods for data analysis were… read more here.
Keywords: approach enantiomeric; screening approach; enantiomeric separation; separation ... See more keywords
Identification of high affinity and low molecular alternatives of boceprevir against SARS-CoV-2 main protease: A virtual screening approach
Sign Up to like & getrecommendations! Published in 2021 at "Chemical Physics Letters"
DOI: 10.1016/j.cplett.2021.138446
Abstract: SARS-CoV-2 has posed global challenge for healthcare due to COVID-19. The main protease (Mpro) of this virus is considered as a major target for drug development efforts. In this work, we have used virtual screening… read more here.
Keywords: virtual screening; protease; high affinity; screening approach ... See more keywords
Discovery of a Potent Tat-Binding Antiretroviral Compound Using a Two-Step Screening Approach.
Sign Up to like & getrecommendations! Published in 2025 at "Biochemistry"
DOI: 10.1021/acs.biochem.5c00203
Abstract: The transcription of the HIV-1 long-terminal repeat (LTR), driven by the viral transactivator Tat, represents a distinct and druggable step in HIV-1 replication. Targeting Tat-mediated transcription is a promising antiretroviral strategy due to its mechanistic… read more here.
Keywords: step screening; screening approach; tat; transcription ... See more keywords
Aminopyrimidine Derivatives as Multiflavivirus Antiviral Compounds Identified from a Consensus Virtual Screening Approach
Sign Up to like & getrecommendations! Published in 2024 at "Journal of chemical information and modeling"
DOI: 10.1021/acs.jcim.3c01505
Abstract: Around three billion people are at risk of infection by the dengue virus (DENV) and potentially other flaviviruses. Worldwide outbreaks of DENV, Zika virus (ZIKV), and yellow fever virus (YFV), the lack of antiviral drugs,… read more here.
Keywords: virtual screening; screening approach; compounds identified; consensus virtual ... See more keywords
Novel Tricyclic Pyroglutamide Derivatives as Potent RORγt Inverse Agonists Identified using a Virtual Screening Approach.
Sign Up to like & getrecommendations! Published in 2020 at "ACS medicinal chemistry letters"
DOI: 10.1021/acsmedchemlett.0c00496
Abstract: Employing a virtual screening approach, we identified the pyroglutamide moiety as a nonacid replacement for the cyclohexanecarboxylic acid group which, when coupled to our previously reported conformationally locked tricyclic core, provided potent and selective RORγt… read more here.
Keywords: virtual screening; ror; screening approach; inverse agonists ... See more keywords
Efficient NMR Screening Approach to Discover Small Molecule Fragments Binding Structured RNA.
Sign Up to like & getrecommendations! Published in 2021 at "ACS medicinal chemistry letters"
DOI: 10.1021/acsmedchemlett.1c00109
Abstract: We describe a scalable nuclear magnetic resonance (NMR) screening approach to identify and prioritize small molecule fragments that bind to structured RNAs. This approach is target agnostic and, therefore, amenable to many RNA structures and… read more here.
Keywords: screening approach; small molecule; approach; nmr screening ... See more keywords
An integrated screening approach for designing efficient thermally activated delayed fluorescent materials for OLEDs
Sign Up to like & getrecommendations! Published in 2024 at "Journal of Materials Chemistry C"
DOI: 10.1039/d4tc02333a
Abstract: A novel screening process for organic materials identifies potential TADF molecules by combining luminescence stability and efficiency, and analyzing dihedral angles between TADF donors and acceptors. read more here.
Keywords: integrated screening; screening approach; thermally activated; efficient thermally ... See more keywords
A screening approach for the correction of distortion in UAV data for coral community mapping
Sign Up to like & getrecommendations! Published in 2021 at "Geocarto International"
DOI: 10.1080/10106049.2021.1958066
Abstract: Unmanned Aerial Vehicle (UAV) may provide us super resolution data, however, they are often captured with artefacts and distortion. To investigate impact of distortion on the coral reef information... read more here.
Keywords: distortion uav; approach correction; screening approach; distortion ... See more keywords
235A Novel Screening Approach for Osteoporosis in Dental Practice using Quantitative Ultrasound of the Mandible
Sign Up to like & getrecommendations! Published in 2018 at "Age and Ageing"
DOI: 10.1093/ageing/afy140.174
Abstract: Background: Screening for osteoporosis is paramount in the prevention of fragility fractures in older adults, with Quantitative Ultrasound (QUS) offering a portable, easy to use, relatively low cost, non-ionising alternative to Dual Energy X-ray Absorptiometry… read more here.
Keywords: dental practice; screening approach; approach osteoporosis; sos ... See more keywords
Substrate screening approach for quasiparticle energies of two-dimensional interfaces with lattice mismatch
Sign Up to like & getrecommendations! Published in 2020 at "Physical Review B"
DOI: 10.1103/physrevb.102.205113
Abstract: The authors develop an efficient and accurate interpolation technique for the matrix elements of dielectric matrices in the entire $\mathbf{q}$ + $\mathbf{G}$ reciprocal space between material and substrate.The method makes possible quasiparticle energy calculations within… read more here.
Keywords: quasiparticle; quasiparticle energies; screening approach; substrate screening ... See more keywords
A Bayesian screening approach for hepatocellular carcinoma using multiple longitudinal biomarkers.
Sign Up to like & getrecommendations! Published in 2018 at "Biometrics"
DOI: 10.1111/biom.12717
Abstract: Advanced hepatocellular carcinoma (HCC) has limited treatment options and poor survival, therefore early detection is critical to improving the survival of patients with HCC. Current guidelines for high-risk patients include ultrasound screenings every six months,… read more here.
Keywords: hepatocellular carcinoma; carcinoma; approach hepatocellular; bayesian screening ... See more keywords