Ushbu ishga iqtibos qilgan ishlar

4 ta ish

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

1. 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

   ABIABI:AkademIndex/openalex/2023.article.000875

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

   Mohd Shahnawaz Khan, Moyad Shahwan, Anas Shamsi +5

   MaqolaAnalytical Chemistry and ChromatographyACS Omega20220 iqtibos

   ABIABI:AkademIndex/openalex/2022.article.000980

3. Naringenin as a potent anti-amyloidogenic polyphenol against a-synuclein aggregation: a computational approach

   Mohamed J. Saadh, Zahraa Sabah Ghnim, Morug Salih Mahdi +9

   MaqolaParkinson's Disease Mechanisms and TreatmentsThe European Physical Journal Plus20240 iqtibos

   ABIABI:AkademIndex/openalex/2024.article.003928

4. Identification of Phytochemicals as Promising GSK-3β Inhibitors for Cancer Therapeutic Potential Through Virtual Screening, Molecular Docking, MD Simulation and MM-PBSA Calculation

   Mohamed J. Saadh, Wael Sheet Hussein, Karar H. Alfarttoosi +10

   MaqolaComputational Drug Discovery MethodsJournal of Computational Biophysics and Chemistry20250 iqtibos

   ABIABI:AkademIndex/openalex/2025.article.004989