"molecular docking" trang 4 - tải miễn phí từ tailieunhanh
Molecular docking analysis and molecular dynamics simulation study of ameltolide analogous as a sodium channel blocker

Molecular docking analysis and molecular dynamics simulation study of ameltolide analogous as a sodium channel blocker
11    41    3
Molecular docking, synthesis and biological significance of pyrimidine analogues as prospective antimicrobial and antiproliferative agents

Molecular docking, synthesis and biological significance of pyrimidine analogues as prospective antimicrobial and antiproliferative agents
17    109    0
BIOINFORMATICS

BIOINFORMATICS
336    53    0
Rehabilitating drug-induced long-QT promoters: In-silico design of hERG-neutral cisapride analogues with retained pharmacological activity

Rehabilitating drug-induced long-QT promoters: In-silico design of hERG-neutral cisapride analogues with retained pharmacological activity
15    79    0
In-silico molecular design of heterocyclic benzimidazole scaffolds as prospective anticancer agents

In-silico molecular design of heterocyclic benzimidazole scaffolds as prospective anticancer agents
22    92    2
Synthesis, characterization, biological evaluation and molecular docking studies of 2-(1H-benzo[d] imidazol-2-ylthio)-N-(substituted 4-oxothiazolidin-3-yl) acetamides

Synthesis, characterization, biological evaluation and molecular docking studies of 2-(1H-benzo[d] imidazol-2-ylthio)-N-(substituted 4-oxothiazolidin-3-yl) acetamides
12    97    0
Novel glitazones as PPARγ agonists: Molecular design, synthesis, glucose uptake activity and 3D QSAR studies

Novel glitazones as PPARγ agonists: Molecular design, synthesis, glucose uptake activity and 3D QSAR studies
21    66    0
SNP2SIM: A modular workflow for standardizing molecular simulation and functional analysis of protein variants

SNP2SIM: A modular workflow for standardizing molecular simulation and functional analysis of protein variants
8    49    1
Phytochemical compounds of morus alba as anti-aging agent towards in silico binding to matrix metalloproteinase proteins

Phytochemical compounds of morus alba as anti-aging agent towards in silico binding to matrix metalloproteinase proteins
10    53    1
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
Evaluation of the enrichment and amplification effect of pentachlorobenzene with lower bioconcentration in the food chain before and after modification

Evaluation of the enrichment and amplification effect of pentachlorobenzene with lower bioconcentration in the food chain before and after modification
20    35    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 and molecular modeling studies of naproxen-based acyl hydrazone derivatives

Synthesis and molecular modeling studies of naproxen-based acyl hydrazone derivatives
20    54    3
Identifying potential drugs for inhibition the M2 protein channel of influenza a by steered molecular dynamics

Identifying potential drugs for inhibition the M2 protein channel of influenza a by steered molecular dynamics
8    14    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
Exploring the prognostic significance of PKCε variants in cervical cancer

Exploring the prognostic significance of PKCε variants in cervical cancer
15    1    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
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
Báo cáo y học:

Báo cáo y học: "The discovery of potential acetylcholinesterase inhibitors: A combination of pharmacophore modeling, virtual screening, and molecular docking studies"
13    62    0
Báo cáo khoa học: NMR and molecular dynamics studies of an autoimmune myelin basic protein peptide and its antagonist Structural implications for the MHC II (I-Au)–peptide complex from docking calculations

Báo cáo khoa học: NMR and molecular dynamics studies of an autoimmune myelin basic protein peptide and its antagonist Structural implications for the MHC II (I-Au)–peptide complex from docking calculations
15    63    0