„Computer Modelling.“
Suchergebnisse
7.065 Treffer
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Molecular modelling of quinoline derivatives as telomerase inhibitors through 3D-QSAR, molecular dynamics simulation, and molecular docking techniques
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Probabilistic divergence of a template-based modelling methodology from the ideal protocol
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Comparative modelling unravels the structural features of eukaryotic TCTP implicated in its multifunctional properties: an in silico approach
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The impact of modelling choices on modelling outcomes: a spatio-temporal study of the association between COVID-19 spread and environmental conditions in Catalonia (Spain)
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Modelling the structural and reactivity landscapes of tucatinib with special reference to its wavefunction-dependent properties and screening for potential antiviral activity
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Identification of promising molecules against MurD ligase from Acinetobacter baumannii: insights from comparative protein modelling, virtual screening, molecular dynamics simulations and MM/PBSA analysis
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Modelling dependence between observed and simulated wind speed data using copulas
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Deriving high spatiotemporal rainfall information over Singapore through dynamic-stochastic modelling using ‘HiDRUS’
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Cocrystals of hydrochlorothiazide with picolinamide, tetramethylpyrazine and piperazine: quantum mechanical studies, docking and modelling of the photovoltaic efficiency for DSSC
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Molecular basis of the beta-lactamase protein using comparative modelling, drug screening and molecular dynamics studies to understand the resistance of β-lactam antibiotics
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Modelling and attributing evapotranspiration changes on China’s Loess Plateau with Budyko framework considering vegetation dynamics and climate seasonality
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Comparative modelling studies of fruit bromelain using molecular dynamics simulation
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Modelling background seismicity components identified by nearest neighbour and stochastic declustering approaches: the case of Northeastern Italy
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Computer modelling in molecular biology
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Molecular interaction of PCB180 to human serum albumin: insights from spectroscopic and molecular modelling studies
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Information modelling in water resources: an Australian perspective
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A probabilistic risk modelling chain for analysis of regional flood events
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Optimization of agricultural water–food–energy nexus in a random environment: an integrated modelling approach
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Modelling random uncertainty of eddy covariance flux measurements
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Multivariate spatial modelling through a convolution-based skewed process