Results 31 to 40 of about 1,377,645 (380)

Improving the binding affinity and interaction of 5-Pentyl-2-Phenoxyphenol against Mycobacterium Enoyl ACP reductase by computational approach

open access: yesInformatics in Medicine Unlocked, 2021
Tuberculosis (TB) is one of the leading causes of death worldwide. The development of new anti-tubercular drugs is required as resistant strains of M. tuberculosis to various first-line drugs are currently available.
Jakaria Shawon   +3 more
doaj  

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

open access: yesJournal 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

How neocarcerand Octacid4 self-assembles with guests into irreversible noncovalent complexes and what accelerates the assembly

open access: yesCommunications 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

hERG Blockade Prediction by Combining Site Identification by Ligand Competitive Saturation and Physicochemical Properties

open access: yesChemistry, 2022
The human ether-a-go-go-related gene (hERG) potassium channel is a well-known contributor to drug-induced cardiotoxicity and therefore is an extremely important target when performing safety assessments of drug candidates.
Himanshu Goel   +2 more
doaj   +1 more source

Computer-Aided Design of Microfluidic Circuits.

open access: yesAnnual Review of Biomedical Engineering, 2020
Microfluidic devices developed over the past decade feature greater intricacy, increased performance requirements, new materials, and innovative fabrication methods.
Elishai Ezra Tsur
semanticscholar   +1 more source

Identification of the viscoelastic boundary conditions of Euler‐Bernoulli beams using transmissibility

open access: yesEngineering Reports, 2019
A new method to identify the viscoelastic boundary conditions of Euler‐Bernoulli beams under forced response is here presented. The boundary conditions and transmissibility function with viscoelastic expressions in terms of the Green function are ...
Guandong Qiao, Salam Rahmatalla
doaj   +1 more source

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

open access: yesApplied 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   +5 more
doaj   +1 more source

Computer-aided verification in mechanism design

open access: yes, 2015
In mechanism design, the gold standard solution concepts are dominant strategy incentive compatibility and Bayesian incentive compatibility. These solution concepts relieve the (possibly unsophisticated) bidders from the need to engage in complicated ...
AV Goldberg   +9 more
core   +4 more sources

Computer Aided Plumbing Design [PDF]

open access: yes, 2007
This study has been used to eliminate the rigorous activities and time consuming mathematical analysis involved in Plumbing design. The various mathematical steps employed in the design of plumbing systems has been converted into easily interpreted hand ...
Ajayi, Oluseyi. O, Koya, Olufemi. A
core   +1 more source

Computer-Aided Lipid Design: phase equilibrium modeling for product design [PDF]

open access: yes, 2010
The aim of this work is use phase equilibrium modeling as an auxiliary tool for product design, especially for those whose desired final properties are directly related to solid fat content (SFC) and melting behaviour.
Carrillo Le Roux, Galo   +2 more
core   +1 more source

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