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List of works by Mayuri Gupta

Explicit Solvation Shell Model and Continuum Solvation Models for Solvation Energy and pKa Determination of Amino Acids

scientific article published on 16 October 2013

Inhibition of Pantothenate Synthetase by Analogs of β-Alanine Precursor Ineffective as an Antibacterial Strategy

scientific article published on 05 June 2019

Modeling temperature dependency of amine basicity using PCM and SM8T implicit solvation models.

scientific article published on 2 February 2012

Modeling temperature dependency of ionization constants of amino acids and carboxylic acids

scientific article published on 12 June 2013

Postcombustion CO2 Capture Solvent Characterization Employing the Explicit Solvation Shell Model and Continuum Solvation Models

scientific article published on 27 July 2016

The Blood-Brain Barrier (BBB) Score

scientific article published on 25 October 2019

The Brain Exposure Efficiency (BEE) Score

scientific article published on 27 December 2019

Theoretical study of differential enthalpy of absorption of CO2 with MEA and MDEA as a function of temperature.

scientific article

Understanding Carbamate Formation Reaction Thermochemistry of Amino Acids as Solvents for Postcombustion CO2 Capture

scientific article published on 26 September 2019

Understanding Water Structure in an Ion-Pair Solvation Shell in the Vicinity of a Water/Membrane Interface

scientific article published on 01 May 2019

Understanding the effect of nanoconfinement on the structure of water hydrogen bond networks

scientific article published on 26 November 2019

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