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  1. 41
    Pressure-induced unfolding of L1 lipase using molecular dynamics simulations and quantum mechanics calculations
    by Lim, Wui Zhuan
    Published 2016
    Subjects: “...Molecular dynamics - Simulation methods...”
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  2. 42
    A computational docking analysis of chalcone synthase receptor and substrates in Boesenbergia rotunda /
    by Ragaventhan Sanmugavelan
    Published 2019
    Subjects: “...Molecular dynamics....”
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  3. 43
    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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  4. 44
    Enhancing the thermal tolerance of bacillus subtilis ASUIA243 phytase using homology modeling and molecular dynamics simulation /
    by Sultan, Anas Mufid Nasri
    Published 2012
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  5. 45
    Computational design of novel ankyrin as an approach to combat HIV-1 via the intracellular pathway targeting the viral capsid /
    by Hana Atiqah Abdul Karim
    Published 2018
    Subjects: “...Molecular dynamics....”
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  6. 46
    Molecular dynamics simulation of palm kernel oil esters-based nano-emulsion with ibuprofen and dipalmitoylphosphatidyl-choline lipid bilayer
    by Faujan, Nur Hana
    Published 2016
    “... simulations were performed using all-atom level molecular dynamics (MD) technique for 50 ns. The aggregation...”
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  7. 47
    Optimisation and molecular dynamics simulation of mangiferin from mahkota dewa (Phaleria macrocarpa) extract in subcritical water extraction process
    by Nurmaryam Aini, Hashim
    Published 2019
    “... activity and cytotoxicity MTT-assay. The molecular dynamic simulations were performed under NVT ensemble...”
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  8. 48
    Nanoparticle assisted gemini surfactant as wax deposition suppressant in Malaysian crude oil using experimental and molecular dynamics simulation
    by Shamala Devi, Vijaya Kumar
    Published 2022
    “... viscometer and wax inhibition using cold finger analysis. In addition, molecular dynamics modeling (MD...”
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  9. 49
    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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  10. 50
    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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  11. 51
    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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  12. 52
    Molecular dynamics simulations of phase behaviour and structural studies of guanidinium triflate ionic liquid and its mixture with water and N-methyldiethanolamine for carbon dioxide removal /
    by Naimah Haron
    Published 2020
    Subjects: “...Molecular dynamics....”
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  13. 53
    Fluorescence spectroscopic and molecular modelling studies on the molecular interaction mechanism of bromodeoxyuridine with human serum albumin /cAmira Adlin Roslan.
    by Amira Adlin Roslan
    Published 2021
    Subjects: “...Molecular dynamics....”
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  14. 54
    Pemodelan tio-oktil-glukosida dan alfa-oktil-oksida dalam air dengan kaedah dinamik molekul /
    by M. Vijayan Manickam Achari
    Published 2006
    Subjects: “...Molecular dynamics...”
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  15. 55
    Potential of flavonoids as entry inhibitors for dengue virus type-2 using molecular dynamics simulation and molecular docking / Nurul Azira Ismail
    by Ismail, Nurul Azira
    Published 2019
    “..., molecular dynamics simulation and docking of the E-M heterodimer model of DENV type-2 for Malaysia (DENV2-My...”
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  16. 56
    In Silico Design And Constant-Ph Molecular Dynamics Study Of Human Igg1 Fc At Ph6.0 And Ph 7.5
    by Lim, Yee Ying
    Published 2020
    “... is related to the pH-dependent binding mechanism of IgG1 with FcRn. In this work, constant pH molecular...”
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  17. 57
    Integrated in silico techniques for mechanism studies of antiviral and antidiabetic compounds /
    by Diyana Mohd Isa
    Published 2020
    Subjects: “...Molecular dynamics....”
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  18. 58
    Simulation studies of clusters and surfaces /
    by Lim, Hock Siah
    Published 1993
    Subjects: “...Molecular dynamics Computer simulation....”
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  19. 59
    Synthesis of new anilinoquinazoline derivatives as potential anticancer agents : antiproliferative activity, molecular docking and molecular dynamics studies /
    by Muhammad Kumayl Abdul Wahab
    Published 2021
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  20. 60
    Crystallization process of meenamic acid : optimization, molecular dynamics simulations and PAT (Process Analytical Technology) implementation /
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