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20 works

Work: 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

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

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

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  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

    Article20222 citations
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  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

    ArticleCholinesterase and Neurodegenerative DiseasesPhysical Biology20231 citations
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