| The blood–brain barrier (BBB) score M Gupta, HJ Lee, CJ Barden, DF Weaver Journal of medicinal chemistry 62 (21), 9824-9836, 2019 | 197 | 2019 |
| Theoretical Study of Differential Enthalpy of Absorption of CO2 with MEA and MDEA as a Function of Temperature M Gupta, EF da Silva, A Hartono, HF Svendsen The Journal of Physical Chemistry B 117 (32), 9457-9468, 2013 | 60 | 2013 |
| COVID-19 as a trigger of brain autoimmunity M Gupta, DF Weaver ACS Chemical Neuroscience 12 (14), 2558-2561, 2021 | 56 | 2021 |
| Modeling temperature dependency of amine basicity using PCM and SM8T implicit solvation models M Gupta, EF da Silva, HF Svendsen The Journal of Physical Chemistry B 116 (6), 1865-1875, 2012 | 56 | 2012 |
| Explicit Solvation Shell Model and Continuum Solvation Models for Solvation Energy and pKa Determination of Amino Acids M Gupta, EF da Silva, HF Svendsen Journal of Chemical Theory and Computation 9 (11), 5021-5037, 2013 | 48 | 2013 |
| Simulation of chemical reaction initiation through high velocity collisions of NO clusters with a surface M Gupta, EA Walters, NC Blais The Journal of chemical physics 104 (1), 100-109, 1996 | 34 | 1996 |
| Small molecule therapeutics for COVID-19: repurposing of inhaled furosemide Z Wang, Y Wang, P Vilekar, SP Yang, M Gupta, MI Oh, A Meek, L Doyle, ... PeerJ 8, e9533, 2020 | 32 | 2020 |
| AMP–CO2–water thermodynamics, a combination of UNIQUAC model, computational chemistry and experimental data H Mehdizadeh, M Gupta, I Kim, EF Da Silva, T Haug-Warberg, ... International Journal of Greenhouse Gas Control 18, 173-182, 2013 | 28 | 2013 |
| Computer-aided molecular design of imidazole-based absorbents for CO2 capture V Venkatraman, M Gupta, M Foscato, HF Svendsen, VR Jensen, ... International Journal of Greenhouse Gas Control 49, 55-63, 2016 | 27 | 2016 |
| Understanding the effect of nanoconfinement on the structure of water hydrogen bond networks MI Oh, M Gupta, CI Oh, DF Weaver Physical Chemistry Chemical Physics 21 (47), 26237-26250, 2019 | 21 | 2019 |
| Postcombustion CO2 Capture Solvent Characterization Employing the Explicit Solvation Shell Model and Continuum Solvation Models M Gupta, EF da Silva, HF Svendsen The Journal of Physical Chemistry B 120 (34), 9034-9050, 2016 | 21 | 2016 |
| Modeling temperature dependency of ionization constants of amino acids and carboxylic acids M Gupta, EF da Silva, HF Svendsen The Journal of Physical Chemistry B 117 (25), 7695-7709, 2013 | 18 | 2013 |
| The brain exposure efficiency (BEE) score M Gupta, T Bogdanowicz, MA Reed, CJ Barden, DF Weaver ACS chemical neuroscience 11 (2), 205-224, 2019 | 17 | 2019 |
| Computational study of thermodynamics of polyamines with regard to CO2 capture M Gupta, EF da Silva, HF Svendsen Energy Procedia 23, 140-150, 2012 | 17 | 2012 |
| Modeling temperature dependent and absolute carbamate stability constants of amines for CO2 capture M Gupta, HF Svendsen International Journal of Greenhouse Gas Control 98, 103061, 2020 | 16 | 2020 |
| Representation of Piperazine-CO2-H2O system using extended-UNIQUAC and computational chemistry H Mehdizadeh, M Gupta, EF Da Silva, HF Svendsen Energy Procedia 37, 1871-1880, 2013 | 16 | 2013 |
| Understanding Carbamate Formation Reaction Thermochemistry of Amino Acids as Solvents for Postcombustion CO2 Capture M Gupta, HF Svendsen The Journal of Physical Chemistry B 123 (40), 8433-8447, 2019 | 15 | 2019 |
| Mechanisms and reaction pathways in MEA degradation; A computational study M Gupta, SJ Vevelstad, HF Svendsen Energy Procedia 63, 1115-1121, 2014 | 12 | 2014 |
| Understanding water structure in an ion-pair solvation shell in the vicinity of a water/membrane interface MI Oh, M Gupta, DF Weaver The Journal of Physical Chemistry B 123 (18), 3945-3954, 2019 | 11 | 2019 |
| Computational study of equilibrium constants for amines and amino acids for CO2 capture solvents M Gupta, EF da Silva, HF Svendsen Energy Procedia 37, 1720-1727, 2013 | 11 | 2013 |
Donald WeaverKrembil Research InstituteE-mail confirmado em utoronto.ca
