Keyword Connections

computational studies

Journals

2

1 Bioorganic chemistry

2 Scientific reports

Research Groups

0

No Research Group Connected

Bibliographies

19

1 Pyrazole[3,4-d]pyridazine derivatives: Molecular docking and explore of acetylcholinesterase and carbonic anhydrase enzymes inhibitors as anticholinergics potentials.

2 Two truncating variants in FANCC and breast cancer risk.

3 Synthesis, molecular structure, Hirshfeld surface analysis, spectroscopic and computational studies (DFT) of 6,6'-((1E,1'E)-(1,2-phenylenebis(azanylylidene))bis(methanylylidene))bis(2-(tert-butyl)-4-methylphenol)

4 Synthesis, Biological Evaluation and In Silico Computational Studies of 7-Chloro-4-(1-1,2,3-triazol-1-yl)quinoline Derivatives: Search for New Controlling Agents against (Lepidoptera: Noctuidae) Larvae.

5 Computational Studies of 4-Formylpyridinethiosemicarbazone and Structural and Biological Studies of Its Ni(II) and Cu(II) Complexes

6 Anti-inflammatory activities of Sieboldogenin from Smilax china Linn.: experimental and computational studies

7 Chromatographic analysis of phytochemicals in Costus igneus and computational studies of flavonoids

8 Synthesis, biological evaluation and computational studies of fused acridine containing 1,2,4-triazole derivatives as anticancer agents

9 Synthesis, characterization, X-ray structure, computational studies, and bioassay of novel compounds combining thiophene and benzimidazole or 1,2,4-triazole moieties.

10 Exploring the potential role of pyrazoline derivatives in corrosion inhibition of mild steel in hydrochloric acid solution: Insights from experimental and computational studies

11 Synthesis, computational studies and anticonvulsant activity of novel benzothiazole coupled sulfonamide derivatives

12 H<inf>5</inf>BW<inf>12</inf>O<inf>40</inf>-Catalyzed syntheses of 1,4-dihydropyridines and polyhydroquinolines via Hantzsch reaction: Joint experimental and computational studies

13 Pd(II) and Ni(II) complexes containing an asymmetric Schiff base ligand: Synthesis, x-ray crystal structure, spectroscopic investigations and computational studies

14 synthesis of novel derivatives of carbazole-thiophene, their electronic properties, and computational studies

15 experimental and computational studies on non-covalent imprinted microspheres as recognition system for nicotinamide molecules

16 synthesis and dpph scavenging assay of reserpine analogues, computational studies and in silico docking studies in ache and bche responsible for alzheimer's disease

17 insights into enzymatic halogenation from computational studies

18 molecular modeling of acidic treated pstm-3t polymer for removal of heavy metal ions by experimental and computational studies

19 Computational studies of DNA repair: Insights into the function of monofunctional DNA glycosylases in the base excision repair pathway