Rakesh Gupta
12PUBLICATIONS
6CO-AUTHORS
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Publications (12)
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|Mar 05, 2026
Interaction of Choline-Based Ionic Liquids with Model Lipid Membranes: Force-Field Parametrization and Membrane Partitioning.Rakesh Gupta, Beena Rai, K Ganapathy Ayappa
|Dec 28, 2024
High-Throughput Exploration of Ti-V-Nb-Mo Carbide MXenes Using Neural Network Potentials and Their Evaluation as Catalysts for Hydrogen Evolution Reaction.Mohammed Wasay Mudassir, Sriram Goverapet Srinivasan, Mahesh Mynam
|Dec 04, 2023
Effects of Segregation on the Catalytic Properties of AgAuCuPdPt High-Entropy Alloy for CO Reduction Reaction.Chinmay Dahale, Sriram Goverapet Srinivasan, Beena Rai
|Oct 27, 2022
Systematic Identification of Atom-Centered Symmetry Functions for the Development of Neural Network Potentials.Mohammed Wasay Mudassir, Sriram Goverapet Srinivasan, Mahesh Mynam
|May 02, 2022
Molecular mechanism of the skin permeation enhancing effect of ethanol: a molecular dynamics study.Rakesh Gupta, Yogesh Badhe, Beena Rai
|Apr 15, 2022
<i>In silico</i> design of peptides with binding to the receptor binding domain (RBD) of the SARS-CoV-2 and their utility in bio-sensor development for SARS-CoV-2 detection.Yogesh Badhe, Rakesh Gupta, Beena Rai
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