Atom-based 3D-QSAR, molecular docking, DFT, and simulation studies of acylhydrazone, hydrazine, and diazene derivatives as IN-LEDGF/p75 inhibitors
Sign Up to like & getrecommendations! Published in 2020 at "Structural Chemistry"
DOI: 10.1007/s11224-020-01628-3
Abstract: Since HIV-1 integrase makes use of host genome machinery to accomplish the replication process, where LEDGF/p75 (a cellular cofactor) executes in the lentiviral integration process by interacting with integrase. Thus, the integrase-LEDGF/p75 interaction has become… read more here.
Keywords: hydrazine diazene; atom based; diazene derivatives; ledgf p75 ... See more keywords
Pharmacophore modeling, atom based 3D-QSAR, molecular docking and molecular dynamics studies on Escherichia coli ParE inhibitors
Sign Up to like & getrecommendations! Published in 2020 at "Computational biology and chemistry"
DOI: 10.1016/j.compbiolchem.2019.107197
Abstract: ATP dependent ParE enzyme is as an attractive target for the development of antibacterial agents. Atom based 3D-QSAR model AADHR.187 was developed based on the thirty eight Escherichia coli ParE inhibitors. The generated model showed… read more here.
Keywords: coli pare; escherichia coli; atom based; pare inhibitors ... See more keywords
Single-Atom-Based Heterojunction Coupling with Ion-Exchange Reaction for Sensitive Photoelectrochemical Immunoassay.
Sign Up to like & getrecommendations! Published in 2021 at "Nano letters"
DOI: 10.1021/acs.nanolett.1c00076
Abstract: Benefiting from the maximum atom-utilization efficiency and distinct structural features, single-atom catalysts open a new avenue for the design of more functional catalysts, whereas their bioapplications are still in their infancy. Due to the advantages,… read more here.
Keywords: sas cds; based heterojunction; atom based; heterojunction coupling ... See more keywords
C-C Coupling on Single-Atom-Based Heterogeneous Catalyst.
Sign Up to like & getrecommendations! Published in 2018 at "Journal of the American Chemical Society"
DOI: 10.1021/jacs.7b09314
Abstract: Compared to homogeneous catalysis, heterogeneous catalysis allows for ready separation of products from the catalyst and thus reuse of the catalyst. C-C coupling is typically performed on a molecular catalyst which is mixed with reactants… read more here.
Keywords: atom; catalyst coupling; atom based; coupling single ... See more keywords
Theories of Aboutness
Sign Up to like & getrecommendations! Published in 2018 at "Australasian Journal of Philosophy"
DOI: 10.1080/00048402.2017.1388826
Abstract: ABSTRACT Our topic is the theory of topics (that is, the theory of subject matter). My goal is to clarify and evaluate three competing traditions: what I call the way-based approach, the atom-based approach, and… read more here.
Keywords: theory; issue based; atom based; based theory ... See more keywords
Identification of potential tumour-associated carbonic anhydrase isozyme IX inhibitors: atom-based 3D-QSAR modelling, pharmacophore-based virtual screening and molecular docking studies
Sign Up to like & getrecommendations! Published in 2019 at "Journal of Biomolecular Structure and Dynamics"
DOI: 10.1080/07391102.2019.1626285
Abstract: Abstract Tumour hypoxia results in dramatic changes in the gene expression, proliferation and survival of tumour cells. The tumour cells shift towards anaerobic glycolysis which results in change of pH in their microenvironment. In response… read more here.
Keywords: carbonic anhydrase; atom based; molecular docking; pharmacophore ... See more keywords
Fiber-coupled vapor cell for a portable Rydberg atom-based radio frequency electric field sensor.
Sign Up to like & getrecommendations! Published in 2018 at "Applied optics"
DOI: 10.1364/ao.57.006456
Abstract: We demonstrate a movable, Rydberg atom-based radio frequency (RF) electric (E) field probe. The technique is based on electromagnetically induced transparency and Autler-Townes splitting. Two fibers attached to a 10 mm cubic Cs133 vapor cell are… read more here.
Keywords: rydberg atom; field; radio frequency; atom based ... See more keywords
Rydberg-atom based radio-frequency electrometry using frequency modulation spectroscopy in room temperature vapor cells.
Sign Up to like & getrecommendations! Published in 2017 at "Optics express"
DOI: 10.1364/oe.25.008625
Abstract: Rydberg atom-based electrometry enables traceable electric field measurements with high sensitivity over a large frequency range, from gigahertz to terahertz. Such measurements are particularly useful for the calibration of radio frequency and terahertz devices, as… read more here.
Keywords: rydberg atom; frequency; radio frequency; atom based ... See more keywords
Atom-based sensing technique of microwave electric and magnetic fields via a single rubidium vapor cell.
Sign Up to like & getrecommendations! Published in 2022 at "Optics express"
DOI: 10.1364/oe.478064
Abstract: We present an atom-based approach for determining microwave electric and magnetic fields by using a single rubidium vapor cell in a microwave waveguide. For a 87Rb cascade three-level system employed in our experiment, a weak… read more here.
Keywords: microwave electric; single rubidium; electric magnetic; atom based ... See more keywords
Precise measurement of microwave polarization using a Rydberg atom-based mixer.
Sign Up to like & getrecommendations! Published in 2023 at "Optics express"
DOI: 10.1364/oe.485662
Abstract: A Rydberg atom-based mixer has opened up a new method to characterize microwave electric fields such as the precise measurement of their phase and strength. This study further demonstrates, theoretically and experimentally, a method to… read more here.
Keywords: rydberg; based mixer; rydberg atom; atom based ... See more keywords
Compatibility of GROMOS-Derived Atomic Parameters for Lipopolysaccharide Membranes with the SPC/E Water Model and Alternative Long-Range Electrostatic Treatments Using Single Nonbonded Cutoff and Atom-Based Charge Schemes
Sign Up to like & getrecommendations! Published in 2019 at "Journal of the Brazilian Chemical Society"
DOI: 10.21577/0103-5053.20190119
Abstract: Recent developments of GROMACS v.2016 ceased to support methodological approaches used in the development and validation of the GROMOS force field. We investigated the performance of a previously developed extension of the GROMOS force field… read more here.
Keywords: based charge; water; atom based; charge ... See more keywords