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Scientific Reports|August 6, 2015
Glucose recovery from aqueous solutions by adsorption in metal-organic framework MIL-101: a molecular simulation studyKrishna M Gupta, Kang Zhang, Jianwen Jiang
Pharmaceutics|April 28, 2023
Molecular Interactions between APIs and Enteric Polymeric Excipients in Solid Dispersion: Insights from Molecular Simulations and ExperimentsKrishna M Gupta, Xavier Chin, Parijat Kanaujia
Langmuir : the ACS Journal of Surfaces and Colloids|November 21, 2015
Water Desalination through Zeolitic Imidazolate Framework Membranes: Significant Role of Functional GroupsKrishna M Gupta, Kang Zhang, Jianwen Jiang
Nanoscale|September 3, 2021
Molecular dynamics simulations to elucidate translocation and permeation of active from lipid nanoparticle to skin: complemented by experimentsKrishna M Gupta, Surajit Das, Pui Shan Chow
ACS Applied Materials & Interfaces|May 20, 2016
Seawater Pervaporation through Zeolitic Imidazolate Framework Membranes: Atomistic Simulation StudyKrishna M Gupta, Zhiwei Qiao, Kang Zhang, et al.
ACS Applied Materials & Interfaces|September 12, 2018
Zeolitic Imidazolate Framework Membranes for Organic Solvent Nanofiltration: A Molecular Simulation ExplorationWan Wei, Krishna M Gupta, Jie Liu, et al.
Physical Chemistry Chemical Physics : PCCP|March 22, 2012
Metal-organic framework supported ionic liquid membranes for CO2 capture: anion effectsKrishna M Gupta, Yifei Chen, Zhongqiao Hu, et al.
ACS Applied Materials & Interfaces|April 24, 2025
Synergistic Computational and Experimental Investigation of Covalent Organic Frameworks for Efficient Alcohol DehydrationKrishna M Gupta, Srinivasulu Aitipamula, Xavier Chin, et al.
Langmuir : the ACS Journal of Surfaces and Colloids|December 27, 2022
Formulation and Skin Permeation of Active-Loaded Lipid Nanoparticles: Evaluation and Screening by Synergizing Molecular Dynamics Simulations and ExperimentsKrishna M Gupta, Surajit Das, Annie B H Wong, et al.
Nanoscale|August 27, 2024
Evaluation of polymer-preservative interactions for preservation efficacy: molecular dynamics simulation and QSAR approachesQisong Xu, Pui Shan Chow, Erte Xi, et al.
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