An AI‐based virtual simulation experimental teaching system in space engineering education
Sign Up to like & getrecommendations! Published in 2021 at "Computer Applications in Engineering Education"
DOI: 10.1002/cae.22221
Abstract: In recent years, cognitive computing has represented an artifical intelligence (AI)‐based application of the next‐generation interaction among human beings. This study analyses the cognitive internet of things and proposes a Soft K‐Means Fuzzy Clustering approach.… read more here.
Keywords: education based; space; based virtual; engineering education ... See more keywords
Structure‐Based Virtual Screening and in vitro and in vivo Analyses Revealed Potent Methyltransferase G9a Inhibitors as Prospective Anti‐Alzheimer's Agents
Sign Up to like & getrecommendations! Published in 2022 at "Chemmedchem"
DOI: 10.1002/cmdc.202200002
Abstract: G9a is a lysine methyltransferase able to di‐methylate lysine 9 of histone H3, promoting the repression of genes involved in learning and memory. Novel strategies based on synthesizing epigenetic drugs could regulate gene expression through… read more here.
Keywords: structure; virtual screening; g9a; based virtual ... See more keywords
Computer‐based virtual reality assessment of functional capacity in primary psychosis
Sign Up to like & getrecommendations! Published in 2022 at "World Psychiatry"
DOI: 10.1002/wps.21024
Abstract: World Psychiatry 21:3 October 2022 transitions between multiple stable states, and include only linear effects, while complex systems thinking often involves the presence of feedback loops, phase transitions between multiple stable states, interactions at different… read more here.
Keywords: functional capacity; computer based; reality assessment; based virtual ... See more keywords
Discovery of small molecule PLpro inhibitor against COVID-19 using structure-based virtual screening, molecular dynamics simulation, and molecular mechanics/Generalized Born surface area (MM/GBSA) calculation
Sign Up to like & getrecommendations! Published in 2020 at "Structural Chemistry"
DOI: 10.1007/s11224-020-01665-y
Abstract: COVID-19 is spreading in a global pandemic that is endangering human life and health. Therefore, there is an urgent need to target COVID-19 to find effective treatments for this emerging acute respiratory infection. Viral Papain-Like… read more here.
Keywords: virtual screening; based virtual; molecular dynamics; structure based ... See more keywords
Experimental Validation of the Sensitivity-Based Virtual Fields for Identification of Anisotropic Plasticity Models
Sign Up to like & getrecommendations! Published in 2020 at "Experimental Mechanics"
DOI: 10.1007/s11340-019-00575-3
Abstract: In this work, the sensitivity-based virtual fields have been applied to identify two anisotropic plasticity models (Hill48, Yld2000-2D) using a deep-notched tensile test performed on flat samples of cold-rolled sheet of DC04 steel. The material… read more here.
Keywords: sensitivity based; based virtual; anisotropic plasticity; virtual fields ... See more keywords
QSAR Based Virtual screening derived Identification of a Novel Hit as a SARS CoV-229E 3CLpro Inhibitor: GA-MLR QSAR modeling supported by Molecular Docking, Molecular Dynamics Simulation and MMGBSA calculation Approaches
Sign Up to like & getrecommendations! Published in 2021 at "Arabian Journal of Chemistry"
DOI: 10.1016/j.arabjc.2021.103499
Abstract: Congruous coronavirus drug targets and analogous lead molecules must be identified as quickly as possible to produce antiviral therapeutics against human coronavirus (HCoV SARS 3CLpro) infections. In the present communication, we bear recognized a HIT… read more here.
Keywords: virtual screening; based virtual; qsar based; simulation ... See more keywords
Docking- and pharmacophore-based virtual screening for the identification of novel Mycobacterium tuberculosis protein tyrosine phosphatase B (MptpB) inhibitor with a thiobarbiturate scaffold.
Sign Up to like & getrecommendations! Published in 2019 at "Bioorganic chemistry"
DOI: 10.1016/j.bioorg.2018.12.038
Abstract: Mycobacterium tuberculosis (Mtb) protein tyrosine phosphatase B (MptpB) is an important virulence factor for Mtb that contributes to survival of the bacteria in macrophages. The absence of a human ortholog makes MptpB an attractive target… read more here.
Keywords: virtual screening; based virtual; inhibitor; mptpb inhibitor ... See more keywords
Structure-based virtual screening suggests inhibitors of 3-Chymotrypsin-Like Protease of SARS-CoV-2 from Vernonia amygdalina and Occinum gratissimum
Sign Up to like & getrecommendations! Published in 2021 at "Computers in Biology and Medicine"
DOI: 10.1016/j.compbiomed.2021.104671
Abstract: Antiviral culinary plants are potential bioresources for preventive nutraceuticals and/or antiviral drugs in COVID-19. Structure-based virtual screening was undertaken to screen 173 compounds previously reported from Vernonia amygdalina and Occinum gratissimum for direct interaction with… read more here.
Keywords: virtual screening; based virtual; vernonia amygdalina; structure based ... See more keywords
An enantiomer-based virtual screening approach: Discovery of chiral organophosphates as acetyl cholinesterase inhibitors.
Sign Up to like & getrecommendations! Published in 2017 at "Ecotoxicology and environmental safety"
DOI: 10.1016/j.ecoenv.2016.12.035
Abstract: Chiral organophosphates (OPs) have been used widely around the world, very little is known about binding mechanisms with biological macromolecules. An in-depth understanding of the stereo selectivity of human AChE and discovering bioactive enantiomers of… read more here.
Keywords: virtual screening; based virtual; chiral organophosphates; enantiomer based ... See more keywords
Novel natural non-nucleoside inhibitors of HIV-1 reverse transcriptase identified by shape- and structure-based virtual screening techniques.
Sign Up to like & getrecommendations! Published in 2019 at "European journal of medicinal chemistry"
DOI: 10.1016/j.ejmech.2018.10.029
Abstract: In this work we report a parallel application of both docking- and shape-based virtual screening (VS) methods, followed by Molecular Dynamics simulations (MDs), for discovering new compounds able to inhibit the human immunodeficiency virus type… read more here.
Keywords: virtual screening; based virtual; nucleoside inhibitors; non nucleoside ... See more keywords
Decentralized self-discipline scheduling strategy for multi-microgrids based on virtual leader agents
Sign Up to like & getrecommendations! Published in 2018 at "Electric Power Systems Research"
DOI: 10.1016/j.epsr.2018.08.002
Abstract: Abstract A decentralized self-discipline scheduling strategy based on virtual leader agents is proposed for the coordination of microgrids and distributed generations, which has incorporated the optimization for tie-line power, distributed consensus λ-iteration algorithm and reference… read more here.
Keywords: based virtual; decentralized self; scheduling strategy; self discipline ... See more keywords