Ushbu ish iqtibos qilgan ishlar

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

   Maqola201530 iqtibos

   ABIABI:AkademIndex/openalex/2026.other.034640

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

   ABIABI:AkademIndex/openalex/2026.other.083064

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

   Nicolas Guex, Manuel C. Peitsch

   Maqola19975 iqtibos

   ABIABI:AkademIndex/openalex/2026.other.083059

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

   ABIABI:AkademIndex/openalex/2026.other.182900

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

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

   Maqola20084 iqtibos

   ABIABI:AkademIndex/openalex/2026.other.083065

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

   Taj Mohammad, Yash Mathur, Md. Imtaiyaz Hassan

   Maqola20204 iqtibos

   ABIABI:AkademIndex/openalex/2026.other.083085

7. 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

   ABIABI:AkademIndex/openalex/2026.other.175261

8. 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

   Maqola20094 iqtibos

   ABIABI:AkademIndex/openalex/2026.other.213368

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

   ABIABI:AkademIndex/openalex/2026.other.264522

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

    ABIABI:AkademIndex/openalex/2026.other.083058

11. Rosmarinic Acid Exhibits Anticancer Effects via MARK4 Inhibition

    Saleha Anwar, Anas Shamsi, Mohd Shahbaaz +8

    Maqola20203 iqtibos

    ABIABI:AkademIndex/openalex/2026.other.083084

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

    Charles David, Donald J. Jacobs

    Maqola20133 iqtibos

    ABIABI:AkademIndex/openalex/2026.other.288021

13. Degradation of Interleukin 1β by Matrix Metalloproteinases

    Akira Itô, Akihira Mukaiyama, Yoshifumi Itoh +5

    Maqola19962 iqtibos

    ABIABI:AkademIndex/openalex/2026.other.083050

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

    ABIABI:AkademIndex/openalex/2026.other.083080

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

    Maqola20202 iqtibos

    ABIABI:AkademIndex/openalex/2026.other.083081

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

    Anas Shamsi, Saleha Anwar, Taj Mohammad +6

    Maqola20202 iqtibos

    ABIABI:AkademIndex/openalex/2026.other.083082

17. Hydrogen Bonds in Protein‐Ligand Complexes

    Mark A. Williams, John E. Ladbury

    Boshqa20032 iqtibos

    ABIABI:AkademIndex/openalex/2026.other.426941

18. Sarlavhasiz

    Boshqa1 iqtibos

    ABIABI:AkademIndex/openalex/2026.other.499924

19. Sarlavhasiz

    Boshqa1 iqtibos

    ABIABI:AkademIndex/openalex/2026.other.499925

20. Sarlavhasiz

    Boshqa1 iqtibos

    ABIABI:AkademIndex/openalex/2026.other.499926

21. Sarlavhasiz

    Boshqa1 iqtibos

    ABIABI:AkademIndex/openalex/2026.other.499927

22. Sarlavhasiz

    Boshqa1 iqtibos

    ABIABI:AkademIndex/openalex/2026.other.499928

23. Sarlavhasiz

    Boshqa1 iqtibos

    ABIABI:AkademIndex/openalex/2026.other.499929

24. Sarlavhasiz

    Boshqa1 iqtibos

    ABIABI:AkademIndex/openalex/2026.other.499930

25. Sarlavhasiz

    Boshqa1 iqtibos

    ABIABI:AkademIndex/openalex/2026.other.499931