„docking“
Suchergebnisse
7.903 Treffer
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Sulfonamides and carbamates of 3-fluoro-4-morpholinoaniline (linezolid intermediate): synthesis, antimicrobial activity and molecular docking study
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Binding affinities of the farnesoid X receptor in the D3R Grand Challenge 2 estimated by free-energy perturbation and docking
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Synthesis of novel β-amino alcohols from phenylacetylcarbinol: cytotoxicity activity against A549 cells and molecular docking
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Synthesis, characterization, anti-ulcer action and molecular docking evaluation of novel benzimidazole-pyrazole hybrids
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Synthesis and molecular docking studies of novel 1,2,3-triazole ring-containing 4-(1,4,5-triphenyl-1H-imidazol-2-yl)phenol derivatives as COX inhibitors
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Blinded evaluation of farnesoid X receptor (FXR) ligands binding using molecular docking and free energy calculations
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Revealing the importance of linkers in K-series oxime reactivators for tabun-inhibited AChE using quantum chemical, docking and SMD studies
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Combining self- and cross-docking as benchmark tools: the performance of DockBench in the D3R Grand Challenge 2
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Synthesis and molecular docking studies of novel 2-phenyl-4-{4-[(1-phenyl-1H-1,2,3-triazol-4-yl)methoxy]benzylidene}oxazol-5(4H)-one derivatives
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Estimation Model of Dry Docking Duration – A Data Mining Approach
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Synthesis, biological activities and molecular docking simulation of hydrazone scaffolds of carvacrol, thymol and eugenol
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Spectroscopic characterization, thermal, antimicrobial and molecular docking studies on nano-size mixed ligand complexes based on sudan III azodye and 1,10-phenanthroline
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Synthesis and molecular docking studies of chrysin derivatives as antibacterial agents
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Efficient conformational sampling and weak scoring in docking programs? Strategy of the wisdom of crowds
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Phytochemicals as Glucosidase and Amylase Inhibitors
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GalaxyDock BP2 score: a hybrid scoring function for accurate protein–ligand docking
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Synthesis, characterization, biological screening and molecular docking studies of 2-aminonicotinaldehyde (ANA) and its metal complexes
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Using the multi-objective optimization replica exchange Monte Carlo enhanced sampling method for protein–small molecule docking
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Docking-based comparative intermolecular contacts analysis and in silico screening reveal new potent acetylcholinesterase inhibitors
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Choline kinase inhibition and docking studies of a series of 6-(benzylthio)-9H-purin-9-yl-pyridinium derivatives