molecular docking trang 6 tải miễn phí từ TAILIEUCHUNG

"molecular docking" trang 6 - tải miễn phí từ Tailieuchung

Substituting random forest for multiple linear regression improves binding affinity prediction of scoring functions: Cyscore as a case study

Substituting random forest for multiple linear regression improves binding affinity prediction of scoring functions: Cyscore as a case study

12 28 1

Correlation analysis of the side-chains conformational distribution in bound and unbound proteins

Correlation analysis of the side-chains conformational distribution in bound and unbound proteins

8 20 1

Synthesis, characterization and biological activity of mixed ligand chelates of Ni(II) with pyridoxalthiosemicarbazone and dipeptides

Synthesis, characterization and biological activity of mixed ligand chelates of Ni(II) with pyridoxalthiosemicarbazone and dipeptides

12 16 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 34 1

Investigation of the structural and physicochemical requirements of quinoline-arylamidine hybrids for the growth inhibition of K562 and Raji leukemia cells

Investigation of the structural and physicochemical requirements of quinoline-arylamidine hybrids for the growth inhibition of K562 and Raji leukemia cells

16 22 1

Synthesis, cytotoxic assessment, and molecular docking studies of 2,6-diaryl-substituted pyridine and 3,4- dihydropyrimidine-2(1H)-one scaffolds

Synthesis, cytotoxic assessment, and molecular docking studies of 2,6-diaryl-substituted pyridine and 3,4- dihydropyrimidine-2(1H)-one scaffolds

20 39 1

Bis benzothiophene Schiff bases: Synthesis and in silico-guided biological activity studies

Bis benzothiophene Schiff bases: Synthesis and in silico-guided biological activity studies

26 23 1

Synthesis and molecular docking studies of quinoline derivatives as HIV non-nucleoside reverse transcriptase inhibitors

Synthesis and molecular docking studies of quinoline derivatives as HIV non-nucleoside reverse transcriptase inhibitors

46 44 1

Novel Mannich bases with strong carbonic anhydrases and acetylcholinesterase inhibition effects: 3-(aminomethyl)-6-{3-[4-(trifluoromethyl)phenyl]acryloyl}-2(3H)- benzoxazolones

Novel Mannich bases with strong carbonic anhydrases and acetylcholinesterase inhibition effects: 3-(aminomethyl)-6-{3-[4-(trifluoromethyl)phenyl]acryloyl}-2(3H)- benzoxazolones

14 43 1

Biotechnology and food sciences, Design and synthesis of novel pyrimidine analogs as anti tubercular agents targeting thymidine kinase domain

Biotechnology and food sciences, Design and synthesis of novel pyrimidine analogs as anti tubercular agents targeting thymidine kinase domain

4 54 1

Synthesis, molecular docking, and antitumoral activity of alnustone-like compounds against estrogen receptor alpha-positive human breast cancer

Synthesis, molecular docking, and antitumoral activity of alnustone-like compounds against estrogen receptor alpha-positive human breast cancer

15 38 3

Synthesis of polydentate, multi metal ion sensing, unsymmetrical Schiff bases with complimented antifungal activity

Synthesis of polydentate, multi metal ion sensing, unsymmetrical Schiff bases with complimented antifungal activity

21 2 1

Comprehensive evaluation of Reseda lutea L. (Wild Mignonette) and 7 isolated flavonol glycosides: determination of antioxidant activity, anti-Alzheimer, antidiabetic and cytotoxic effects with in vitro and in silico methods

Comprehensive evaluation of Reseda lutea L. (Wild Mignonette) and 7 isolated flavonol glycosides: determination of antioxidant activity, anti-Alzheimer, antidiabetic and cytotoxic effects with in vitro and in silico methods

16 1 1

Synthesis, molecular modelling and biological significance of N-(4-(4-bromophenyl) thiazol-2-yl)-2-chloroacetamide derivatives as prospective antimicrobial and antiproliferative agents

Synthesis, molecular modelling and biological significance of N-(4-(4-bromophenyl) thiazol-2-yl)-2-chloroacetamide derivatives as prospective antimicrobial and antiproliferative agents

14 63 0

Molecular docking, synthesis, kinetics study, structure–activity relationship and ADMET analysis of morin analogous as Helicobacter pylori urease inhibitors

Molecular docking, synthesis, kinetics study, structure–activity relationship and ADMET analysis of morin analogous as Helicobacter pylori urease inhibitors

17 92 0

Molecular docking studies of coumarin hybrids as potential acetylcholinesterase, butyrylcholinesterase, monoamine oxidase A/B and β-amyloid inhibitors for Alzheimer’s disease

Molecular docking studies of coumarin hybrids as potential acetylcholinesterase, butyrylcholinesterase, monoamine oxidase A/B and β-amyloid inhibitors for Alzheimer’s disease

57 51 0

Molecular docking and QSAR study on imidazole derivatives as 14α-demethylase inhibitors

Molecular docking and QSAR study on imidazole derivatives as 14α-demethylase inhibitors

15 12 1

Structure-based engineering of heparinase I with improved specific activity for degrading heparin

Structure-based engineering of heparinase I with improved specific activity for degrading heparin

12 41 0

Design, synthesis, in silico and in vitro antimicrobial screenings of novel 1,2,4-triazoles carrying 1,2,3-triazole scaffold with lipophilic side chain tether

Design, synthesis, in silico and in vitro antimicrobial screenings of novel 1,2,4-triazoles carrying 1,2,3-triazole scaffold with lipophilic side chain tether

13 120 0

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 86 0

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