Results 11 to 20 of about 593,691 (360)

Computer-aided design and Computer-aided engineering [PDF]

MATEC Web of Conferences, 2018
In modern industrial production some of the major factors of successful development include: cost reduction of the production, im-provement of its quality, as well as help to minimise the time in market en-try.
Kolbasin Alexander, Husu Oksana
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Computer-aided antibody design [PDF]

Protein Engineering Design and Selection, 2012
Recent clinical trials using antibodies with low toxicity and high efficiency have raised expectations for the development of next-generation protein therapeutics. However, the process of obtaining therapeutic antibodies remains time consuming and empirical.
Matthew P. Jacobson, Haruki Nakamura, Daisuke Kuroda, Hiroki Shirai   +3 more
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Computer-aided drug design

BMC Chemistry, 2023
AbstractComputer-Aided Drug Design tools are now an indispensable part of drug discovery that have made key contributions to the development of drugs. In this editorial, I briefly provide an overview of CADD emphasizing its potential and invite authors from academia and the pharmaceutical and biotechnology sector to present their research in this ...
openaire   +4 more sources

Reducing the Concepts of Data Science and Machine Learning to Tools for the Bench Chemist

CHIMIA, 2019
Machine Learning and Data Science have enjoyed a renaissance due to the availability of increased computational power and larger data sets. Many questions can be now asked and answered, that previously were beyond our scope.
Richard A. Lewis, Peter Ertl, Nadine Schneider, Nikolaus Stiefl   +3 more
doaj   +1 more source

Inhibition of cannabinoid receptor type 1 sensitizes triple-negative breast cancer cells to ferroptosis via regulating fatty acid metabolism

Cell Death and Disease, 2022
Triple-negative breast cancer (TNBC) is a heterogeneous subtype of breast cancer that displays highly aggressive with poor prognosis. Owing to the limited targets and drugs for TNBC clinical therapy, it is necessary to investigate the factors regulating ...
Pengyun Li, Qiaohong Lin, Shiyang Sun, Ning Yang, Yu Xia, Shengjie Cao, Wenjuan Zhang, Qian Li, Haoxin Guo, Maoxiang Zhu, Yilong Wang, Zhibing Zheng, Song Li   +12 more
doaj   +1 more source

Numerical Simulation of a High-Speed Impact of Metal Plates Using a Three-Fluid Model

Metals, 2021
The process of wave formation at the contact boundary of colliding metal plates is a fundamental basis of explosive welding technology. In this case, the metals are in a pseudo-liquid state at the initial stages of the process, and from a mathematical ...
Petr Chuprov, Pavel Utkin, Svetlana Fortova   +2 more
doaj   +1 more source

Synthesis and Biological Evaluation of Chromenylurea and Chromanylurea Derivatives as Anti-TNF-α agents that Target the p38 MAPK Pathway

Molecules, 2014
A series of 1-aryl-3-(2H-chromen-5-yl)urea and 1-aryl-3-(chroman-5-yl)urea derivatives were designed, synthesized and evaluated for their inhibitory activities towards TNF-α production in lipopolysaccharide-stimulated THP-1 cells.
Xingzhou Li, Xinming Zhou, Jing Zhang, Lili Wang, Long Long, Zhibing Zheng, Song Li, Wu Zhong   +7 more
doaj   +1 more source

Numerical Study of Detonation Wave Propagation in the Variable Cross-Section Channel Using Unstructured Computational Grids

Journal of Combustion, 2018
The work is dedicated to the numerical study of detonation wave initiation and propagation in the variable cross-section axisymmetric channel filled with the model hydrogen-air mixture.
Alexander Lopato, Pavel Utkin
doaj   +1 more source

Industrial Environmental Impact Assessment Method Based on Detection of Complex Anomalies in Time Series

Applied System Innovation
To minimize the environmental impact of energy enterprises, it is important to promptly identify cases of possible changes in the quality of wastewater generated at power plants, that is, cases of exceeding the maximum permissible concentrations of ...
Elena Safonova, Alla Kravets, Maxim Shcherbakov, Alexey Kizim, Mohammad Al-Gunaid, Alexander Echin   +5 more
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How neocarcerand Octacid4 self-assembles with guests into irreversible noncovalent complexes and what accelerates the assembly

Communications Chemistry, 2022
Neocarcerand Octacid4 can assemble with small molecule guests at room temperature to produce irreversible noncovalent bimolecular complexes, but the nature of the self-assembly pathway remains poorly understood.
Yuan-Ping Pang
doaj   +1 more source