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In this work, we studied the catalytic mechanism of human pancreatic α-amylase (HPA). Our goal was to determine the catalytic mechanism of HPA with atomic detail using computational methods. We demonstrated that the HPA catalytic mechanism consists of two ...
Artists and architects often need to handle multiple constraints during design of physical constructions. We define a performative constraint as any constraint on design that is tied to the performance of the model--either during fabrication, construction, ...
Radical changes are taking place in the landscape of modern power systems. This massive shift in the way the system is designed and operated has been termed the advent of the ``smart grid''. One of its implications is a strong market pull for faster power ...
Experiments were conducted using the X2 expansion tube at two conditions representative of flight velocities of 10.0 km/s and 12.2 km/s for a vehicle entry into Earth's atmosphere. Calibrated spectral measurements were made of radiating shock layers ac ...
Biotechnology promises the biologically and ecologically sustainable production of commodity chemicals, biofuels, pharmaceuticals and other high-value products using industrial platform microorganisms. Metabolic engineering plays a key role in this process ...
The plasticity of the dense hydrous magnesium silicate (DHMS) phase A, a key hydrous mineral within cold subduction zones, was investigated by two complementary approaches: high-pressure deformation experiments and computational methods. The deformation ex ...
Drug discovery and development is a high-risk enterprise that requires significant investments in capital, time and scientific expertise. The studies of xenobiotic metabolism remain as one of the main topics in the research and development of drugs, cosmet ...
Understanding of metabolism in disease-causing microorganisms promotes drug design through the identification of the enzymes whose activity is indispensable for important cellular functions of the pathogens. Nowadays such understanding arises from experime ...
The goal of this paper is to show how chemical process synthesis and analysis studies can be coupled with experimental heterogeneous catalysis studies to identify promising research directions for the development of strategies for the production of renewab ...
The present study is related to the development of the tip vortex cavitation in Kaplan turbines. The investigation is carried out on a simplified test case consisting of a NACA0009 blade with a gap between the blade tip and the side wall. Computations with ...
