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20 ta ish

Ish: Exploring the GDP binding to KRas WT, G12C, G12D, G12R, and G12V and bound with MRTX1133 using steered molecular dynamics

  1. GROMACS: High performance molecular simulations through multi-level parallelism from laptops to supercomputers

    M Abraham, Teemu J. Murtola, Roland Schulz +4

    Maqola201530 iqtibos
    ABI

  2. THE weighted histogram analysis method for free‐energy calculations on biomolecules. I. The method

    Shankar Kumar, John M. Rosenberg, Djamal Bouzida +2

    Maqola199210 iqtibos
    ABI

  3. Umbrella sampling

    Johannes Kästner

    Maqola20118 iqtibos
    ABI

  4. In Silico Analysis of Binding Stability of Quercetin with CmpA and In Vitro Growth Inhibition Study of Cyanobacterial Species Using Azadirachta indica Extracts

    Showkat Ahmad Mir, Binata Nayak

    Maqola20222 iqtibos
    ABI

  5. Characterization of the binding of MRTX1133 as an avenue for the discovery of potential KRASG12D inhibitors for cancer therapy

    Abdul Rashid Issahaku, Namutula Mukelabai, Clement Agoni +4

    Maqola20222 iqtibos
    ABI

  6. An exploration of the binding prediction of anatoxin-a and atropine to acetylcholinesterase enzyme using multi-level computer simulations

    Showkat Ahmad Mir, Jamoliddin Razzokov, V. Mukherjee +2

    MaqolaCholinesterase and Neurodegenerative DiseasesPhysical Biology20231 iqtibos
    ABI

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