| Analgesic and antioxidant activity of mangiferin and its derivatives: the structure activity relationship A Dar, S Faizi, S Naqvi, T Roome, S Zikr-ur-Rehman, M Ali, S Firdous, ... Biological and Pharmaceutical Bulletin 28 (4), 596-600, 2005 | 360 | 2005 |
| 2-Arylquinazolin-4 (3H)-ones: A new class of α-glucosidase inhibitors K Javaid, SM Saad, S Rasheed, ST Moin, N Syed, I Fatima, U Salar, ... Bioorganic & Medicinal Chemistry 23 (23), 7417-7421, 2015 | 66 | 2015 |
| A Quantum Mechanical Charge Field Molecular Dynamics Study of Fe2+ and Fe3+ Ions in Aqueous Solutions ST Moin, TS Hofer, AB Pribil, BR Randolf, BM Rode Inorganic chemistry 49 (11), 5101-5106, 2010 | 51 | 2010 |
| Dynamic Profiling of β-Coronavirus 3CL Mpro Protease Ligand-Binding Sites E Cho, M Rosa, R Anjum, S Mehmood, M Soban, M Mujtaba, K Bux, ... Journal of Chemical Information and Modeling 61 (6), 3058-3073, 2021 | 43 | 2021 |
| An ab initio quantum mechanical charge field molecular dynamics simulation of hydrogen peroxide in water ST Moin, TS Hofer, BR Randolf, BM Rode Computational and Theoretical Chemistry 980, 15-22, 2012 | 36 | 2012 |
| Dynamics of ligand exchange mechanism at Cu (II) in water: An ab initio quantum mechanical charge field molecular dynamics study with extended quantum mechanical region ST Moin, TS Hofer, AKH Weiss, BM Rode The Journal of Chemical Physics 139 (1), 2013 | 32 | 2013 |
| Solvation of cholesterol in different solvents: a molecular dynamics simulation study K Bux, ST Moin Physical Chemistry Chemical Physics 22 (3), 1154-1167, 2020 | 26 | 2020 |
| N, N-Dimethylpyridin-4-amine (DMAP) based ionic liquids: evaluation of physical properties via molecular dynamics simulations and application as a catalyst for Fisher indole … SA Ghumro, S Saleem, M Al-Rashida, N Iqbal, RD Alharthy, S Ahmed, ... RSC advances 7 (54), 34197-34207, 2017 | 24 | 2017 |
| Activation of TrkB receptors by NGFβ mimetic peptide conjugated polymersome nanoparticles R Soumen, AH Johnston, ST Moin, J Dudas, TA Newman, B Hausott, ... Nanomedicine: Nanotechnology, Biology and Medicine 8 (3), 271-274, 2012 | 24 | 2012 |
| Solvent-free click chemistry for tetrazole synthesis from 1, 8-diazabicyclo [5.4. 0] undec-7-ene (DBU)-Based fluorinated ionic liquids, their micellization, and density … A Hameed, SA Ali, AA Khan, ST Moin, KM Khan, J Hashim, FZ Basha, ... RSC advances 4 (109), 64128-64137, 2014 | 23 | 2014 |
| Molecular dynamics simulation of mammalian 15S-lipoxygenase with AMBER force field ST Moin, TS Hofer, R Sattar, Z Ul-Haq European Biophysics Journal 40, 715-726, 2011 | 22 | 2011 |
| Sulfur dioxide in water: structure and dynamics studied by an ab initio quantum mechanical charge field molecular dynamics simulation ST Moin, LHV Lim, TS Hofer, BR Randolf, BM Rode Inorganic Chemistry 50 (8), 3379-3386, 2011 | 20 | 2011 |
| Hydration of porphyrin and Mg–porphyrin: ab initio quantum mechanical charge field molecular dynamics simulations ST Moin, TS Hofer Molecular BioSystems 10 (1), 117-127, 2014 | 18 | 2014 |
| Carbon dioxide in aqueous environment—A quantum mechanical charge field molecular dynamics study ST Moin, AB Pribil, LHV Lim, TS Hofer, BR Randolf, BM Rode International Journal of Quantum Chemistry 111 (7‐8), 1370-1378, 2011 | 17 | 2011 |
| Syntheses of 4, 6-dihydroxypyrimidine diones, their urease inhibition, in vitro, in silico, and kinetic studies MT Muhammad, KM Khan, A Khan, F Arshad, B Fatima, MI Choudhary, ... Bioorganic chemistry 75, 317-331, 2017 | 15 | 2017 |
| Synthesis and in vitro α-chymotrypsin inhibitory activity of 6-chlorobenzimidazole derivatives H Siddiqui, R Farooq, BP Marasini, R Malik, N Syed, ST Moin, ... Bioorganic & Medicinal Chemistry 24 (16), 3387-3395, 2016 | 15 | 2016 |
| Active site characterization and structure based 3D-QSAR studies on non-redox type 5-lipoxygenase inhibitors Z Ul-Haq, N Khan, SK Zafar, ST Moin European Journal of Pharmaceutical Sciences 88, 26-36, 2016 | 15 | 2016 |
| Morpholinium and Piperidinium Based Deep Eutectic Solvents for Synthesis of Pyrazole‐5‐Carbonitriles, Indoles and Tetrazoles: Bulk Properties via Molecular … Sanam, K Bux, M al‐Rashida, RD Alharthy, ST Moin, A Hameed ChemistrySelect 3 (45), 12907-12917, 2018 | 14 | 2018 |
| Structure and dynamics of methanol in water: A quantum mechanical charge field molecular dynamics study ST Moin, TS Hofer, BR Randolf, BM Rode Journal of computational chemistry 32 (5), 886-892, 2011 | 14 | 2011 |
| Interaction of gentamicin and gentamicin-AOT with poly-(lactide-co-glycolate) in a drug delivery system-density functional theory calculations and molecular dynamics simulation S Duran, J Anwar, ST Moin Biophysical Chemistry 294, 106958, 2023 | 13 | 2023 |
