Results 1 to 10 of about 613,307 (166)

How the water-soluble hemicarcerand incarcerates guests at room temperature decoded with modular simulations

open access: yesCommunications Chemistry, 2021
Molecular dynamics simulation can reveal conformational dynamics of host-guest complexes, but simulating larger systems can be challenging. Here a modular approach allows simulation of a neocarcerand whose complexation is enabled by the guest-induced ...
Katherine G. McFerrin, Yuan-Ping Pang
doaj   +1 more source

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   +1 more source

New Method of Degradation Process Identification for Reliability-Centered Maintenance of Energy Equipment

open access: yesEnergies, 2023
Advancements in energy technologies created a new application for gas turbine generators, which are used to balance load. This usage also brought new challenges for maintenance because of harsh operating conditions that make turbines more susceptible to ...
Konstantin Zadiran, Maxim Shcherbakov
doaj   +1 more source

Solving the problem of optimal design for a two-stage reducer by using a modified evolutionary algorithm [PDF]

open access: yesMATEC Web of Conferences, 2020
The work is devoted to solving the problem of selecting optimal geometric parameters of gears of a two-stage cylindrical reducer using a modified evolutionary algorithm (EA).
Ustynenko Oleksandr   +2 more
doaj   +1 more source

An Improved Technique of Hybridization of PSO for the Optimal Coordination of Directional Overcurrent Protection Relays of IEEE Bus System

open access: yesEnergies, 2022
The use of a directional overcurrent protection relay (DOPR) to protect an electrical power system is a crucial instrument for keeping the system dynamic and avoiding undue interruption.
Kashif Habib   +5 more
doaj   +1 more source

Computer-aided verification in mechanism design [PDF]

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

Design, Synthesis and Biological Evaluation of Brain-Targeted Thiamine Disulfide Prodrugs of Ampakine Compound LCX001

open access: yesMolecules, 2016
Ampakine compounds have been shown to reverse opiate-induced respiratory depression by activation of amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid (AMPA) glutamate receptors.
Dian Xiao   +6 more
doaj   +1 more source

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

open access: yesCHIMIA, 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   +3 more
doaj   +1 more source

Calculation of fatigue fracture in structural elements using a multimode damage model [PDF]

open access: yesMATEC Web of Conferences, 2022
The problem of nucleation and development for the fatigue fracture process in element of aircraft structure is solved using previously developed cyclic damage model.
Nikitin Ilia   +2 more
doaj   +1 more source

STTG-net: a Spatio-temporal network for human motion prediction based on transformer and graph convolution network

open access: yesVisual Computing for Industry, Biomedicine, and Art, 2022
In recent years, human motion prediction has become an active research topic in computer vision. However, owing to the complexity and stochastic nature of human motion, it remains a challenging problem.
Lujing Chen   +5 more
doaj   +1 more source

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