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molecular model

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Bibliographies

47

1 Data on charge separation of bispecific and mispaired IgGs using native charge-variant mass spectrometry.

2 molecular modeling of prion transmission to humans

3 Synthesis, evaluation and molecular modelling studies of 2-(carbazol-3-yl)-2-oxoacetamide analogues as a new class of potential pancreatic lipase inhibitors.

4 Investigation of potent inhibitors of cholinesterase based on thiourea and pyrazoline derivatives: Synthesis, inhibition assay and molecular modeling studies.

5 Molecular modeling of anionic and cationic dyes adsorption on sludge derived activated carbon

6 Targeting hepatocellular carcinoma: Synthesis of new pyrazole-based derivatives, biological evaluation, DNA binding, and molecular modeling studies

7 Proof of Principle that Molecular Modeling Followed by a Biophysical Experiment Can Develop Small Molecules that Restore Function to the Cardiac Thin Filament in the Presence of Cardiomyopathic Mutations.

8 β-Carboline Silver Compound Binding Studies with Human Serum Albumin: A Comprehensive Multispectroscopic Analysis and Molecular Modeling Study

9 Elucidation of the inhibition mechanism of sulfiredoxin using molecular modeling and development of its inhibitors.

10 Discovery of certain benzyl/phenethyl thiazolidinone-indole hybrids as potential anti-proliferative agents: Synthesis, molecular modeling and tubulin polymerization inhibition study.

11 Synthesis, biological activity and molecular modeling of a new series of condensed 1,2,4-triazoles.

12 Molecular modeling and MD-simulation studies: Fast and reliable tool to study the role of low-redox bacterial laccases in the decolorization of various commercial dyes.

13 Synthesis, biological evaluation, and molecular modeling of nitrile-containing compounds: Exploring multiple activities as anti-Alzheimer agents.

14 Novel furan coupled quinoline diamide hybrid scaffolds as potent antitubercular agents: Design, synthesis and molecular modelling.

15 Interactions of Fipronil within Fish and Insects: Experimental and Molecular Modeling Studies.

16 Molecular modelling as the spark for active learning approaches for interdisciplinary biology teaching.

17 Chemical profiling, antioxidant, enzyme inhibitory and molecular modelling studies on the leaves and stem bark extracts of three African medicinal plants

18 Molecular modeling investigation of the potential mechanism for phytochemical-induced skin collagen biosynthesis by inhibition of the protein phosphatase 1 holoenzyme

19 Natural compounds as potential Hsp90 inhibitors for breast cancer-Pharmacophore guided molecular modelling studies.

20 Molecular Modeling Applied to Nucleic Acid-Based Molecule Development

21 Synthesis, Anticancer Activity on Prostate Cancer Cell Lines and Molecular Modeling Studies of Flurbiprofen-Thioether Derivatives as Potential Target of MetAP (type II).

22 Synthesis, molecular modeling, in vivo study, and anticancer activity of 1,2,4-triazole containing hydrazide–hydrazones derived from (S)-naproxen

23 Design, Synthesis, Antimicrobial Evaluation, and Molecular Modeling Studies of Novel Indolinedione-Coumarin Molecular Hybrids.

24 Synthesis, activity and molecular modeling studies of 1,2,3-triazole derivatives from natural phenylpropanoids as new trypanocidal agents.

25 Design, Synthesis and Molecular Modeling of Nonsteroidal Anti-inflammatory Drugs Tagged Substituted 1,2,3-Triazole Derivatives and Evaluation of Their Biological Activities

26 Design, synthesis, molecular modelling, ADME prediction and anti-hyperglycemic evaluation of new pyrazole-triazolopyrimidine hybrids as potent α-glucosidase inhibitors

27 Development of bis-thiobarbiturates as successful urease inhibitors and their molecular modeling studies

28 Computational Molecular Modeling of Transport Processes in Nanoporous Membranes

29 New 4-phenylcoumarin derivatives as potent 3C protease inhibitors: Design, synthesis, anti-HAV effect and molecular modeling.

30 New 1,2,4-triazole/pyrazole hybrids linked to oxime moiety as nitric oxide donor celecoxib analogs: Synthesis, cyclooxygenase inhibition anti-inflammatory, ulcerogenicity, anti-proliferative activities, apoptosis, molecular modeling and nitric oxide release studies.

31 Molecular Models in Chemistry Education at University and Upper Secondary School - Structure of Amides

32 The design of novel 4,6-dimethoxyindole based hydrazide-hydrazones: Molecular modeling, synthesis and anticholinesterase activity

33 Synthesis, biological evaluation, and molecular modeling studies of chiral chloroquine analogues as antimalarial agents

34 novel inhibitor discovery of staphylococcus aureus sortase b and the mechanism confirmation via molecular modeling

35 applications of molecular modeling in the study of small molecules (n2, o2, rare gas) interactions with complex molecular systems like zeolites and macrocycles application de la modélisation moléculaire à l'étude de différents phénomènes d'interactions mettant en jeu de petites molécules (n2, o2, gaz rares)

36 development and molecular modeling of co(ii), ni(ii) and cu(ii) complexes as high acting anti breast cancer agents

37 molecular modeling and spectroscopic studies on the interaction of transresveratrol with bovine serum albumin

38 comparative evaluation of the antioxidant and anti-alzheimer’s disease potential of coumestrol and puerarol isolated from pueraria lobata using molecular modeling studies

39 synthesis, molecular modeling, and biological evaluation of novel tetrahydro-β-carboline hydantoin and tetrahydro-β-carboline thiohydantoin derivatives as phosphodiesterase 5 inhibitors

40 molecular modeling to study dendrimers for biomedical applications

41 marine diterpenes: molecular modeling of thrombin inhibitors with potential biotechnological application as an antithrombotic

42 synthesis, characterization, acetylcholinesterase inhibition, molecular modeling and antioxidant activities of some novel schiff bases derived from 1-(2-ketoiminoethyl)piperazines

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

44 molecular modeling of myrosinase from brassica oleracea: a structural investigation of sinigrin interaction

45 Synthesis, antimicrobial and molecular modeling studies of some benzophenone-based thiazole and 4-thiazolidinone derivatives

46 Molecular modeling studies demonstrate key mutations that could affect the ligand recognition by influenza AH1N1 neuraminidase

47 Network analysis and molecular modeling studies of pinocembrin a bioactive phytochemical of Dodonaea viscosa against Parkinson's disease.