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Ish: gmx_MMPBSA: A New Tool to Perform End-State Free Energy Calculations with GROMACS

1. Neuroprotective Activity and Synthesis of Isoquinoline-Quinoline Containing Hybrid Compounds

   U.A. Kurbonov, Sherzod Zhurakulov, Valentina I. Vinogradova +8

   Maqola20260 iqtibos

   ABIABI:AkademIndex/2026.article.yc2cayz3

2. Synthesis, structure, Hirshfeld surface analysis, molecular docking, and molecular dynamic studies of two carbendazim salts

   Zebo Azatovna Boltayeva, Б. Т. Ибрагимов, A. G. Eshimbetov +10

   MaqolaPhenothiazines and Benzothiazines Synthesis and ActivitiesStructural Chemistry20250 iqtibos

   ABIABI:AkademIndex/2025.article.005678

3. Integrated experimental and computational study of a bioactive supramolecular complex: Hexaaquacobalt(II) bis(2,3-dihydroxy-5-carboxybenzenesulfonate) dihydrate

   Abror Ruzmetov, Ari Lehtonen, Anssi Peuronen +8

   MaqolaPorphyrin Metabolism and DisordersJournal of Molecular Structure20260 iqtibos

   ABIABI:AkademIndex/2026.article.018173

4. Design, Synthesis, In Vitro Evaluation, and Molecular Docking of 4‐Substituted Anilides as Histone Deacetylase Inhibitors and Potential Anticancer Agents

   Maryna Lisouskaya, Alesia Panibrat, Muzaffar Kayumov +3

   MaqolaOAOchiq kirish20260 iqtibos

   ABIABI:AkademIndex/2026.article.039429

5. Crystal structure and DFT analysis of 1-phenyl-2-((5-aryl-1,3,4-oxadiazol-2-yl)thio)ethan-1-one and 3-aryl-6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine derivatives

   R.Ya. Okmanov, A.G. Eshimbetov, A.A. Ziyaev +3

   Maqola20260 iqtibos

   ABIABI:AkademIndex/2026.article.055004