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57 ta ish

Ish: Elucidating the Interactions of Fluoxetine with Human Transferrin Employing Spectroscopic, Calorimetric, and <i>In Silico</i> Approaches: Implications of a Potent Alzheimer’s Drug

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

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

    MaqolaOchiq kirish201541 iqtibos
    ABI

  2. Free-energy landscape, principal component analysis, and structural clustering to identify representative conformations from molecular dynamics simulations: The myoglobin case

    Elena Papaleo, Paolo Mereghetti, Piercarlo Fantucci +2

    Maqola20096 iqtibos
    ABI

  3. SWISS‐MODEL and the Swiss‐Pdb Viewer: An environment for comparative protein modeling

    Nicolas Guex, Manuel C. Peitsch

    Maqola19975 iqtibos
    ABI

  4. A biomolecular force field based on the free enthalpy of hydration and solvation: The GROMOS force‐field parameter sets 53A5 and 53A6

    Chris Oostenbrink, Alessandra Villa, Alan E. Mark +1

    Maqola20045 iqtibos
    ABI

  5. CHARMM general force field: A force field for drug‐like molecules compatible with the CHARMM all‐atom additive biological force fields

    Kenno Vanommeslaeghe, Elizabeth Hatcher, Chitrangada Acharya +8

    MaqolaOchiq kirish20095 iqtibos
    ABI

  6. Construction of the free energy landscape of biomolecules via dihedral angle principal component analysis

    Alexandros Altis, Moritz Otten, Phuong H. Nguyen +2

    Maqola20084 iqtibos
    ABI

  7. InstaDock: A single-click graphical user interface for molecular docking-based virtual high-throughput screening

    Taj Mohammad, Yash Mathur, Md. Imtaiyaz Hassan

    Maqola20204 iqtibos
    ABI

  8. Identification and evaluation of bioactive natural products as potential inhibitors of human microtubule affinity-regulating kinase 4 (MARK4)

    Taj Mohammad, Faez Iqbal Khan, Kevin A. Lobb +3

    Maqola20184 iqtibos
    ABI

  9. <i>g_mmpbsa</i>—A GROMACS Tool for High-Throughput MM-PBSA Calculations

    Rashmi Kumari, Rajendra Kumar, Open Source Drug Discovery Consortium +1

    Maqola20144 iqtibos
    ABI

  10. PRODRG, a program for generating molecular topologies and unique molecular descriptors from coordinates of small molecules

    Daan M. F. van Aalten, R. P. Bywater, J. B. C. Findlay +3

    Maqola19963 iqtibos
    ABI

  11. Rosmarinic Acid Exhibits Anticancer Effects via MARK4 Inhibition

    Saleha Anwar, Anas Shamsi, Mohd Shahbaaz +8

    MaqolaOchiq kirish20203 iqtibos
    ABI

  12. Principal Component Analysis: A Method for Determining the Essential Dynamics of Proteins

    Charles David, Donald J. Jacobs

    Maqola20133 iqtibos
    ABI

  13. Degradation of Interleukin 1β by Matrix Metalloproteinases

    Akira Itô, Akihira Mukaiyama, Yoshifumi Itoh +5

    MaqolaOchiq kirish19962 iqtibos
    ABI

  14. Understanding the binding between Rosmarinic acid and serum albumin: In vitro and in silico insight

    Anas Shamsi, Azaj Ahmed, Mohd Shahnawaz Khan +3

    Maqola20202 iqtibos
    ABI

  15. Discovery of Hordenine as a Potential Inhibitor of Pyruvate Dehydrogenase Kinase 3: Implication in Lung Cancer Therapy

    Saleha Anwar, Taj Mohammad, Anas Shamsi +8

    MaqolaOchiq kirish20202 iqtibos
    ABI

  16. MARK4 Inhibited by AChE Inhibitors, Donepezil and Rivastigmine Tartrate: Insights into Alzheimer’s Disease Therapy

    Anas Shamsi, Saleha Anwar, Taj Mohammad +6

    MaqolaOchiq kirish20202 iqtibos
    ABI

  17. Hydrogen Bonds in Protein‐Ligand Complexes

    Mark A. Williams, John E. Ladbury

    Boshqa20032 iqtibos
    ABI

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