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Rakesh Gupta

12PUBLICATIONS

6CO-AUTHORS

Biomolecular modelling and designHydrometallurgyPyrometallurgyTheoretical quantum chemistryChemical and thermal processes in energy and combustion

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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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Frequent Collaborators

4 joint publications

Rakesh Gupta

3 joint publications

Sriram Goverapet Srinivasan

1 joint publications

Mahesh Mynam

1 joint publications

K Ganapathy Ayappa

1 joint publications

Yogesh Badhe

1 joint publications

Samir Mitragotri

Frequent Collaborators

4 joint publications

Rakesh Gupta

3 joint publications

Sriram Goverapet Srinivasan

1 joint publications

Mahesh Mynam

1 joint publications

K Ganapathy Ayappa

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