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  1. 61
    Theoretically engineered DARPins targetting DENV-2 envelope protein /
    by Chong, Wei Lim
    Published 2021
    Subjects: “...Molecular dynamics Computer simulation....”
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  2. 62
    Molecular Mechanics Simulations Of Quartz Etching Process
    by Abdul Manap, Abdul Haadi
    Published 2016
    “... such as Monte Carlo (MC) method and Molecular Dynamics (MD) method enables researchers in building the model...”
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  3. 63
    The Influence Of Liquid Film Thickness On The Heat Transfer At Solid-Liquid Interfaces
    “... energy transfer at solid-liquid interface by using molecular dynamic (MD) simulation. In this report...”
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  4. 64
    Elucidating conserved sub-units from beta-coronavirus species for the creation of novel, cross-clade, and stable chimera sars-cov-2 spike proteins as future proof vaccine candidates
    by Susu, Wang
    Published 2023
    “... S proteins were investigated using bioinformatics techniques, structural predictions and molecular dynamics...”
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  5. 65
    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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  6. 66
    Molecular Mechanics Simulations Of Quartz Etching Process
    by Manap, Abdul Haadi Abdul
    Published 2016
    “... (MC) method and Molecular Dynamics (MD) method enables researchers in building the model from ground...”
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  7. 67
    Host-Guest Interactions Between Betacyclodextrin And Selected Fluoroquinolones: A Molecular Modelling Study
    by Mousa Al-Wahsh, Saleh Ahmad
    Published 2016
    “... docking and molecular dynamics. The penetration of FQ molecules into the β-CD cavity take place via two...”
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  8. 68
    Computational approaches to elucidate the action mechanism of zerumbone towards beta catenin
    by Fatima, Ayesha
    Published 2017
    “... complexes was futher investigated by molecular dynamics simulation technique implemented in AMBER12...”
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  9. 69
    Rational design of ARM lipase stabilization
    by Abd Rahim, Arilla Sri Masayu
    Published 2012
    “... the protein folding of mutant lipase. This is shown in molecular dynamics simulations and also, subsequently...”
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  10. 70
    Computer aided drug repurposing for human BRCA1 associated protein 1 (BAP1) / Syarifuddin Husain
    by Husain, Syarifuddin
    Published 2023
    “... plot. Molecular docking and molecular dynamics simulation (MDS) of the ubiquitin on the BAP1N model...”
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  11. 71
    Combined Knowledge And Physics Based Approaches Towards Predicting Protein Structures
    “...-based molecular dynamics simulation methods. The core region of the protein wasinitially constructed via...”
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  12. 72
    Thermal adaptation and catalytic promiscuity of reconstructed ancient lipase from family I.3 bacterial lipolytic enzymes
    “... was reconstructed. LUCA structure was modelled using structure modelling software and undergo molecular dynamics...”
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  13. 73
    Isolation, gene expression and structural analysis of fruit bromelain from Ananas comosus cultivar MD 2
    by Pang, Wei Cheng
    Published 2020
    “... MODELLER and refined via molecular dynamics simulation. Subsequently, the thermostability of fruit...”
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  14. 74
    In silico designing of thermophilic Bacillus circulans xylanase /
    by Muaz Abdul Hadi
    Published 2012
    Click here to view 1st 24 pages of the thesis. Members can view fulltext at the specified PCs in the library.
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  15. 75
    Identification Of Potential Neuraminidase Inhibitors Using Ensemble-Based Virtual Screening
    by Lim, Kok Keong
    Published 2013
    “.... Variation of neuraminidase conformations from Protein Data Bank (PDB) and molecular dynamics (MD) simulation...”
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  16. 76
    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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  17. 77
    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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  18. 78
    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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  19. 79
    Discovery Of New Targeting Agents Against Gapdh Receptor: In Silico And In Vitro Studies
    by Noh, Muhammad Amirul Asyraf
    Published 2023
    “... sent to undergo molecular dynamics (MD) simulations with GAPDH using GROMACS 2021.2 alongside NAD...”
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  20. 80
    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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