„Computer Simulation“
Suchergebnisse
10.000+ Treffer
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Atom-based 3D-QSAR, molecular docking, DFT, and simulation studies of acylhydrazone, hydrazine, and diazene derivatives as IN-LEDGF/p75 inhibitors
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A molecular docking simulation study on potent inhibitors against Rhizoctonia solani and Magnaporthe oryzae in rice: silver-tetrylene and bis-silver-tetrylene complexes vs. validamycin and tricyclazole pesticides
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DFT and MD simulations and molecular docking of co-crystals of octafluoro-1,4-diiodobutane with phenazine and acridine
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Effect of tension-compression testing strategy on kinematic model calibration and springback simulation of advanced high strength steels
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Detailed spectra, electronic properties, qualitative non-covalent interaction analysis, solvatochromism, docking and molecular dynamics simulations in different solvent atmosphere of cenobamate
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Simulation and practical study of L and inverted L slot heptaband rectangular microstrip antenna-notch band characteristics
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A new insight into encapsulation process of a drug molecule in the polymer/surfactant system: a molecular simulation study
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Numerical simulation of self heating during stretch blow moulding of PET: viscohyperelastic modelling versus experimental results
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Molecular dynamics simulation involved in expounding the activation of adrenoceptors by sympathetic nervous system signaling
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Simulation study of a coincidence detection system for non-invasive determination of arterial blood time-activity curve measurements
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In silico studies of novel scaffold of thiazolidin-4-one derivatives as anti-Toxoplasma gondii agents by 2D/3D-QSAR, molecular docking, and molecular dynamics simulations
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Simulation and synthesis of TS fuzzy system using parallel distribution compensation technique
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Ab initio calculations and molecular dynamics simulation of H2 adsorption on CN3Be3 + cluster
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Design, synthesis, evaluation, and molecular dynamic simulation of triclosan mimic diphenyl ether derivatives as antitubercular and antibacterial agents
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Simulation of the forming process for curved composite sandwich panels
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Dual targeting approach for Mycobacterium tuberculosis drug discovery: insights from DFT calculations and molecular dynamics simulations
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In Silico Characterization and Analysis of RTBP1 and NgTRF1 Protein Through MD Simulation and Molecular Docking: A Comparative Study
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QM/MM MD and Free Energy Simulation Study of Methyl Transfer Processes Catalyzed by PKMTs and PRMTs
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Springback prediction for a mechanical micro connector using CPFEM based numerical simulations
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Water desalination across functionalized silicon carbide nanosheet membranes: insights from molecular simulations