Showing 1 - 19 results of 19 for search '"molecular modelling"', query time: 0.10s Refine Results
  1. 1
    Molecular modeling of the biodegradation polyesters using lipase
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  2. 2
    Assessment of likelihood of cocrystal racemic ibuprofen/alpha-lactose monohydrate formation: Experimental and molecular modelling / Mohd Zulfahmi Lukman
    by Lukman, Mohd Zulfahmi
    Published 2015
    “… crystal morphology and formation of cocrystal is simulated using molecular modelling.The morphological…”
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  3. 3
    Methylation and acetylation enhanced the antidiabetic activity of some selected flavonoids: In vitro, molecular modelling and structure activity relationship based study
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  4. 4
    Thioguanine-based DENV-2 NS2B/NS3 protease inhibitors: Virtual screening, synthesis, biological evaluation and molecular modelling
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  5. 5
    Design and Synthesis of New Barbituric- and Thiobarbituric Acid Derivatives as Potent Urease Inhibitors: Structure Activity Relationship and Molecular Modeling Studies
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  6. 6
    Molecular modelling and functional studies of the non-stereospecific α-haloalkanoic acid dehalogenase (DehE) from Rhizobium sp. RC1 and its association with 3-chloropropionic acid (β-chlorinated aliphatic acid)
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  7. 7
    Evaluation of polymorphic forms of mefenamic acid crystals from solution: modelling and experimental approach / Asna Nabila Ahmad Zamri
    by Ahmad Zamri, Asna Nabila
    Published 2016
    “… process conditions. Molecular modelling simulation was also done to study the molecular interactions…”
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  8. 8
    A study on solution chemistry and crystallization behavior of L-alanine in the presence of additives / Muhamad Fitri Othman
    by Othman, Muhamad Fitri
    Published 2013
    “… of the crystal surface via molecular modelling are also presented. The binary system and ternary systems were…”
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  9. 9
    Molecular Dynamic Simulation of Amine-CO2 Absorption Process
    by Noorlisa, Harun, E. E., Masiren
    Published 2017
    “…: Research on molecular modelling of amine absorption process for CO2 capture was proposed in this study…”
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  10. 10
    Incorporation of ionic liquid (ILs) in commercial solvent agents for better downhole reaction
    “… at the molecular level to control the solid formation and dissolution in an oilfield environment. The molecular…”
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  11. 11
    New quinoxalinone inhibitors targeting secreted phospholipase A2 and alpha-glucosidase
    “…50 > 200 µM). Structure-based molecular modelling tools were utilised to rationalise the SAR compared…”
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  12. 12
    Probing the effects of fish oil on the delivery and inflammation-inducing potential of imiquimod
    “… caused reduced imiquimod inflammation. NMR studies and computerized molecular modeling were also…”
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  13. 13
    Preparation method and characterization of inclusion complex of Theophylline/Beta / Marina Mokhtar and Rohana Adnan
    by Mokhtar, Marina, Adnan, Rohana
    Published 2012
    “…, DSC and 1H NMR. The molecular modeling study indicated theophylline lies exactly in the cavity of β-CD…”
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  14. 14
    General algorithms for 3-D motion of a non-planar body in a steady-state force field
    “… known techniques have been developed by and used for molecular modeling, but their application is far…”
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  15. 15
    Computer Aided Design of potential inhibitors for Gaucher disease
    “… and substrate reduction therapy; and both are costly. With the help of computer molecular modeling, new drug…”
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  16. 16
    Molecular dynamic simulation of space and earth-grown crystal structures of thermostable T1 lipase geobacillus zalihae revealed a better structure
    “…. Preliminary study using YASARA molecular modeling structure program for both structures showed differences…”
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  17. 17
    A surface potential study of ion-uptake by 5,11,17,23-tetra-tert-butyl-25,27-diethoxycarbonyl methyleneoxy-26,28,dihydroxycalix[4]arene and 5,17-(3-nitrobenzylideneamino)-11,23-di-tert-butyl-25,27- diethoxycarbonyl methyleneoxy-26,28-dihydroxycalix[4]arene Langmuir Blodgett (LB) monolayers
    “… to an LB trough. Space filling model or Corey, Pauling and Koltun (CPK) precision molecular models have…”
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  18. 18
    Designing drug candidates for rare diseases
    by Noorbatcha, Ibrahim Ali
    Published 2012
    “…. With the help of computational molecular modeling, new drug candidate for Gaucher disease treatment can…”
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  19. 19
    In silico study of carvone derivatives as potential neuraminidase inhibitors
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