The Importance of Subcellular Structures to the Modeling of Biological Cells in the Context of Computational Bioelectromagnetics Simulations
Sign Up to like & getrecommendations! Published in 2022 at "Bioelectromagnetics"
DOI: 10.1002/bem.22436
Abstract: Numerical investigation of the interaction of electromagnetic fields with eukaryotic cells requires specifically adapted computer models. Virtual microdosimetry, used to investigate exposure, requires volumetric cell models, which are numerically challenging. For this reason, a method… read more here.
Keywords: modeling biological; structures modeling; cells context; importance subcellular ... See more keywords
Logical versus kinetic modeling of biological networks: applications in cancer research
Sign Up to like & getrecommendations! Published in 2018 at "Current opinion in chemical engineering"
DOI: 10.1016/j.coche.2018.02.005
Abstract: Mathematical modeling of biological networks is a promising approach to understand the complexity of cancer progression, which can be understood as accumulated abnormalities in the kinetics of cellular biochemistry. Two major modeling formalisms (languages) have… read more here.
Keywords: logical versus; cancer research; biological networks; biology ... See more keywords
Synthesis, characterization, DFT molecular modeling and biological studies of Zn(II), Cd(II) and Hg(II) complexes of new polydentate thiosemicarbazide
Sign Up to like & getrecommendations! Published in 2019 at "Journal of Molecular Structure"
DOI: 10.1016/j.molstruc.2018.12.064
Abstract: Abstract The new ligand, 2,2'-(9,10-dihydro-9,10-ethanoanthracene-11,12-dicarbonyl)bis(N-ethyl hydrazine-1-carbothioamide) (H6ETS) and its complexes with Zn(II), Cd(II) and Hg(II) were synthesized and characterized using physicochemical techniques. The IR and 1H-NMR spectral data of the ligand indicated that it exists… read more here.
Keywords: synthesis characterization; dft molecular; modeling biological; molecular modeling ... See more keywords
Synthesis, Molecular Modeling and Biological Evaluation of Novel Trifluoromethyl Benzamides as Promising CETP Inhibitors.
Sign Up to like & getrecommendations! Published in 2023 at "Current computer-aided drug design"
DOI: 10.2174/1573409919666230509123852
Abstract: BACKGROUND Hyperlipidemia is considered a major risk factor for the progress of atherosclerosis. OBJECTIVE Cholesteryl ester transfer protein (CETP) facilitates the relocation of cholesterol esters from HDL to LDL. CETP inhibition produces higher HDL and… read more here.
Keywords: modeling biological; biological evaluation; cetp; synthesis molecular ... See more keywords
Molecular modeling and biological studies show that some μ-opioid receptor agonists might elicit analgesia acting as MMP-9 inhibitors.
Sign Up to like & getrecommendations! Published in 2019 at "Future medicinal chemistry"
DOI: 10.4155/fmc-2018-0535
Abstract: AIM Despite the serious side effects, analgesics acting on opioid receptors are still considered the best way to get antinociception. Matrix metalloproteinases, a large family of zinc-dependent proteases implicated in many pathological conditions, such as… read more here.
Keywords: molecular modeling; opioid receptor; biological studies; studies show ... See more keywords