"Computational docking" trang 1 - tải miễn phí từ tailieunhanh
Synthesis, computational drug likeness, DFT studies and in vitro biological activity evaluation of some heteronuclear complexes of functionalized (E)-2-(butan-2-ylidene) hydrazinecarbothioamide ligand

Synthesis, computational drug likeness, DFT studies and in vitro biological activity evaluation of some heteronuclear complexes of functionalized (E)-2-(butan-2-ylidene) hydrazinecarbothioamide ligand
18    10    1
Synthesis, characterization, molecular docking, analgesic, antiplatelet and anticoagulant effects of dibenzylidene ketone derivatives

Synthesis, characterization, molecular docking, analgesic, antiplatelet and anticoagulant effects of dibenzylidene ketone derivatives
18    78    0
RMalign: An RNA structural alignment tool based on a novel scoring function RMscore

RMalign: An RNA structural alignment tool based on a novel scoring function RMscore
10    51    1
Schiff base of isoniazid and ketoprofen: synthesis, X-ray crystallographic, spectroscopic, antioxidant, and computational studies

Schiff base of isoniazid and ketoprofen: synthesis, X-ray crystallographic, spectroscopic, antioxidant, and computational studies
23    55    1
Combined ligand and structure-based virtual screening approaches for identification of novel AChE inhibitors

Combined ligand and structure-based virtual screening approaches for identification of novel AChE inhibitors
15    59    1
Synthesis, spectral characterization, DFT studies, and computational screening of 4-amino-3-mercapto-5-methyl-1,2,4-triazole and its cadmium(II) mixed ligands complexes as potential antimalaria drug

Synthesis, spectral characterization, DFT studies, and computational screening of 4-amino-3-mercapto-5-methyl-1,2,4-triazole and its cadmium(II) mixed ligands complexes as potential antimalaria drug
17    11    1
COMPUTATIONAL SIMULATIONS AND APPLICATIONS

COMPUTATIONAL SIMULATIONS AND APPLICATIONS
572    102    0
Computational studies of 2-(4-oxo-3-phenylthiazolidin-2-ylidene) malononitrile

Computational studies of 2-(4-oxo-3-phenylthiazolidin-2-ylidene) malononitrile
11    79    0
Computational analysis of the receptor binding specificity of novel influenza A/H7N9 viruses

Computational analysis of the receptor binding specificity of novel influenza A/H7N9 viruses
10    40    1
Computational investigation of unsaturated ketone derivatives as MAO-B inhibitors by using QSAR, ADME/Tox, molecular docking, and molecular dynamics simulations

Computational investigation of unsaturated ketone derivatives as MAO-B inhibitors by using QSAR, ADME/Tox, molecular docking, and molecular dynamics simulations
21    23    1
Molecular recognition of funarizine dihydrochloride and β-cyclodextrin inclusion complex by NMR and computational approaches

Molecular recognition of funarizine dihydrochloride and β-cyclodextrin inclusion complex by NMR and computational approaches
9    115    0
Ebook Carbohydrates as drugs

Ebook Carbohydrates as drugs
242    15    1
Computational approaches: Discovery of GTPase HRas as prospective drug target for 1,3-diazine scafolds

Computational approaches: Discovery of GTPase HRas as prospective drug target for 1,3-diazine scafolds
13    94    0