„docking“
Suchergebnisse
7.903 Treffer
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Discovery of novel phthalimide analogs – synthesis, antimicrobial and antitubercular screening with molecular docking studies
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Comment on ‘‘Elucidating the binding efficacy of β-galactosidase on graphene by docking approach and its potential application in galacto-oligosaccharide production”
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Synthesis, antibacterial activity, and docking studies of some novel N′-benzylidene-2-(2,4,5-trifluorophenyl)acetohydrazides
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Prediction of peptide binding to a major histocompatibility complex class I molecule based on docking simulation
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Simulative aurintricarboxylic acid molecular docking with antitumor activity for its VO(II), Cr(III), Mn(II) and Fe(III) complexes, HF/DFT modeling and elaborated EPR studies
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Synthesis, in vitro anti-inflammatory activity and molecular docking studies of novel 4,5-diarylthiophene-2-carboxamide derivatives
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Synthesis, spectroscopic, dielectric, molecular docking and DFT studies of (3E)-3-(4-methylbenzylidene)-3,4-dihydro-2H-chromen-2-one: an anticancer agent
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Binding-affinity predictions of HSP90 in the D3R Grand Challenge 2015 with docking, MM/GBSA, QM/MM, and free-energy simulations
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Synthesis of novel 4-hydroxycarbazole derivatives and evaluation of their in vitro anti-inflammatory, anti-oxidant activities and molecular docking
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Interaction mechanism of pepsin with a natural inhibitor gastrodin studied by spectroscopic methods and molecular docking
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Quadrupole correction for halogen bonding description in virtual screening and molecular docking
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Combined 3D-QSAR modeling and molecular docking study on spiro-derivatives as inhibitors of acetyl-CoA carboxylase
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Identification of novel inhibitors of HCV NS3 protease genotype 3 subtype B through molecular docking studies of phytochemicals from Boerhavia diffusa L
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Pharmacoinformatics and molecular docking studies reveal potential novel Proline Dehydrogenase (PRODH) compounds for Schizophrenia inhibition
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In vitro monoamine oxidase A and B inhibitory activity and molecular docking simulations of fucoxanthin
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Accurate and consistent FE modelling of soft docking of micro/nano paired-satellites using variational inequalities
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Protein Structure Prediction And Algorithms To Minimize Docking Energy
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Synthesis, spectral, thermal, antibacterial and molecular docking studies of some metal(II) complexes of 2-(1,3-benzothiazol-2-ylamino)naphthalene-1,4-dione
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Physicochemical analyses of a bioactive 4-aminoantipyrine analogue - synthesis, crystal structure, solid state interactions, antibacterial, conformational and docking studies
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Tools for Real-Life Vehicle Routing Problems with Transshipment