Showing 1 - 20 results of 26 for search '"Molecular dynamics"', query time: 0.05s Refine Results
  1. 1
    A new hydrocarbon empirical potential for molecular dynamics simulation
    by Tan, Ai Ping
    Published 2017
    “...Molecular dynamics utilize energy model to solve the Newton’s equation of motion for a system...”
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  2. 2
    Molecular docking and molecular dynamics simulation of mutant carboxylesterase in enhancing microplastics binding affinity
    by Lameh, Fatana
    Published 2021
    “... to molecular dynamics (MD) simulation using GROMACS to gauge the binding quality of the above-said proteins PET...”
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  3. 3
    Molecular dynamic simulation alpha crystallin adsorption in bulk phase and at water vacuum interface
    by Mousavi, Fahimehsadat
    Published 2014
    “... of the protein adopted on the surface. Molecular dynamics (MD) simulation was carried out to study adsorbed...”
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  4. 4
    Molecular dynamic simulation of antigen-85 adsorbtion in bulk phase and at water - Vacuum Interface
    by Malekshahi, Soroush
    Published 2014
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  5. 5
    Protein expression profiling of Orthosiphon aristatus (Blume) Miq and molecular dynamics simulation of transketolase with antidiabetic potential
    by Ng, Mei Ling
    Published 2019
    “... in terms of its thermostability using molecular dynamics (MD) simulation at different temperature (310 K...”
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  6. 6
    Molecular dynamic simulation studies of three novel Gerstmann - Straussler - Scheinker and Creutzfeldt - Jacob Prion mutations
    by Jomah, Ashraf Fadhil
    Published 2016
    “... in CJD prone segment of the prion structure. Using molecular dynamics simulations; comparative studies...”
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  7. 7
    Molecular dynamics simulations on structural differences of glucose-6-phosphate dehydrogenase deficiency variants among the Asian population
    “..., L128P, R459L, V431M, H32R, G163S, and G131V) were chosen for analysis using molecular dynamics...”
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  8. 8
    Effects of Ni3Ti (DO24) Precipitates and composition on Ni-based superalloys using molecular dynamics method
    by Goh, Kian Heng
    Published 2013
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  9. 9
    Molecular dynamics simulation of guest diffusional and conformational behaviour of hexadecane-1,16-diol and hexadecane in urea inclusion compound models
    by Mustafa, Siti Fatimah Zaharah
    Published 2018
    “... properties was obtained using molecular dynamics simulation approach. Three-stage of model systems have been...”
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  10. 10
    Molecular dynamic simulation studies of Q212H, V203G and N173K mutations in prion diseases
    by Amidian, Sara
    Published 2014
    “..., we preformed Molecular Dynamic Simulation and structural analysis on the three previously mentioned...”
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  11. 11
    Simulatting interaction of tuberculosis antigen 85B protein with hydrophobic surface graphene
    by Sheykhandalibi, Nazanin
    Published 2013
    “... on the surface. Molecular dynamics (MD) simulation was carried out to study adsorbed conformation of antigen 85...”
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  12. 12
    Simulation of folding pathway studies of trp-cage miniprotein, amyloid A4 peptide, and a-conotoxin RgIA peptide
    by Mohamed Tap, Fatahiya
    Published 2013
    “... was simulated using molecular dynamics (MD) simulation in both explicit and implicit solvent. Amyloid A4 peptide...”
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  13. 13
    Simulation of folding pathway studies of TRP-cage miniprotein, Amyloid A4 peptide and α-conotoxin RgIa peptide
    by Mohamed Tap, Fatahiya
    Published 2013
    “... was simulated using molecular dynamics (MD) simulation in both explicit and implicit solvent. Amyloid A4 peptide...”
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  14. 14
    Bioinformatics analysis of the structural and biochemical effect of the chemical weapon mustard gas on the P53 protein and cell death
    by Esmaili, Rita
    Published 2013
    “... software in methodology such as PYMOL and CROMACS for visualizing, molecular dynamics simulation...”
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  15. 15
    Structural analysis and modeling comparison of primates’ amyloid ßa4 protein
    by Jalali, Fahimeh
    Published 2013
    “... such as: Uniprot, Deep View, PDB (protein data bank), Swiss Model, Jal View, BLAST, VMD(Visual molecular dynamics...”
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  16. 16
    Molecular docking of HSPs (heat shock proteins) from rice seed
    by Lee, Ke Vin
    Published 2018
    “... was used for homology modelling. The suitable model of this sequence was then selected to undergo molecular...”
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  17. 17
    In-silico structural analysis affecting thermostability in recombinant psychrophilic chitinase (CHI II) from Glaciozyma antarctica PI12
    by Amer Shah, Amalina
    Published 2017
    “... where all structures were subjected to 10 ns molecular dynamics simulation at three temperatures; 273 K...”
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  18. 18
    Antioxidant and antidiabetic activities of proteins from Moringa oleifera
    by Zulkifli, Zetty Amirah
    Published 2021
    “... in the petiole. In silico analysis of TKT indicated it to be a thermostable protein upon molecular dynamics (MD...”
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  19. 19
    In silico modelling and molecular interaction of elongation factor receptor with pathogenic elongation factor tu 18
    by Gunasekaran, Shivaranjini
    Published 2019
    “... by homology modelling using HHpred Modeller, followed by docking and molecular dynamics (MD) simulation of EFR...”
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  20. 20
    In silico site-directed mutagenesis of Acinetobacter Haemolyticus Lipase KV1 for improved alkaline stability
    “... pHs (pH 8.0 −10.0). Molecular dynamics (MD) simulation of Lip-KV1 and Mut-LipKV1 protein models under...”
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