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Publication date Communities Collections Article title Author(s) Journal/Conference
14 Aug 2024 SERC Institute of Sustainability for Chemicals, Energy and Environment Evaluation of polymer–preservative interactions for preservation efficacy: molecular dynamics simulation and QSAR approaches Qisong Xu, Pui Shan Chow, Erte Xi, Randy Marsh, Shikar Gupta, Krishna M. Gupta Nanoscale
13 Sep 2023 SERC Institute of Sustainability for Chemicals, Energy and Environment In-silico design of covalent organic framework membranes for efficient water/ethanol separation Krishna M. Gupta, Srinivasulu Aitipamula, Pui Shan Chow Journal of Membrane Science
6 Apr 2023 SERC Institute of Sustainability for Chemicals, Energy and Environment Molecular Interactions between APIs and Enteric Polymeric Excipients in Solid Dispersion: Insights from Molecular Simulations and Experiments Krishna M. Gupta, Xavier Chin, Parijat Kanaujia Pharmaceutics
27 Dec 2022 SERC Institute of Sustainability for Chemicals, Energy and Environment Formulation and Skin Permeation of Active-Loaded Lipid Nanoparticles: Evaluation and Screening by Synergizing Molecular Dynamics Simulations and Experiments Krishna M. Gupta, Surajit Das, Annie B. H. Wong, Pui Shan Chow Langmuir
4 May 2020 SERC Institute of Chemical and Engineering Sciences Encapsulation of ferulic acid in lipid nanoparticles as antioxidant for skin: mechanistic understanding through experiment and molecular simulation Krishna M. Gupta, Surajit Das, Pui Shan Chow, Calum MacBeath ACS Applied Nano Materials