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Physical Chemistry

Working Paper

Surface Segregation in AgAuCuPdPt High Entropy Alloy: Insights From Molecular Simulations

Chinmay Dahale, Sriram Goverapet Srinivasan, Shashank Mishra, Soumyadipta Maiti, Beena Rai

Version 1 posted 17 February 2022

266

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Agriculture and Food Chemistry

Working Paper

Classification of Tastants: A Deep Learning Based Approach

Prantar Dutta, Deepak Jain, Rakesh Gupta, Beena Rai

Version 2 posted 18 May 2023

486

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Chemical Engineering and Industrial Chemistry

Working Paper

Multiscale Modeling of Molecule Transport through Skin’s Deeper Layers

Nitu Verma, Kishore Gajula, Rakesh Gupta, Beena Rai

Version 1 posted 24 November 2022

254

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Catalysis

Working Paper

"Heusler Alloys as Catalysts for Hydrogen Production by Ammonia Decomposition: Data-Driven Screening Via Graph Neural Networks"

Abhishek Agarwal, Sriram Goverapet Srinivasan, Beena Rai

Version 1 posted 29 March 2024

139

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Biological and Medicinal Chemistry

Working Paper

Interactions of Peptide Coated Gold Nanoparticles with Spike Protein of the SARS-CoV-2: A Basis for Design of a Simple and Rapid Detection Tool

Nitu Verma, Yogesh Badhe, Rakesh Gupta, Auhin Maparu, Beena Rai

Version 1 posted 08 December 2020

610

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1

Citations

Theoretical and Computational Chemistry

Working Paper

Deep Learning Models for the Estimation of Free Energy of Permeation of Small Molecules across Lipid Membranes

Prantar Dutta, Deepak Jain, Rakesh Gupta, Beena Rai

Version 1 posted 25 March 2022

457

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Theoretical and Computational Chemistry

Working Paper

Coarse Grained MD Simulation of Bulk and Interfacial Behavior of Mixture of CTAB/SDS Surfactants

Yogesh Badhe, Dharmendr Kumar, Rakesh Gupta, Vinay Jain, Beena Rai

Version 1 posted 22 August 2023

108

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Theoretical and Computational Chemistry

Working Paper

Investigating the Nanostructure of the Stratum Corneum Lipid Matrix: A Combined Neutron Diffraction & Molecular Dynamics Simulations Approach

Yogesh Badhe, Thomas Schmitt, Rakesh Gupta, Beena Rai, Reinhard H H Neubert

Version 1 posted 16 March 2022

209

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Agriculture and Food Chemistry

Working Paper

Computational Screening of Umami Tastants Using Deep Learning

Prantar Dutta, Kishore Gajula, Rakesh Gupta, Beena Rai

Version 1 posted 20 March 2024

100

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Biological and Medicinal Chemistry

Working Paper

In Silico 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

Version 1 posted 16 October 2020

480

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10 results in Beena Rai in Authors: Beena Rai

Surface Segregation in AgAuCuPdPt High Entropy Alloy: Insights From Molecular Simulations

Classification of Tastants: A Deep Learning Based Approach

Multiscale Modeling of Molecule Transport through Skin’s Deeper Layers

"Heusler Alloys as Catalysts for Hydrogen Production by Ammonia Decomposition: Data-Driven Screening Via Graph Neural Networks"

Interactions of Peptide Coated Gold Nanoparticles with Spike Protein of the SARS-CoV-2: A Basis for Design of a Simple and Rapid Detection Tool

Deep Learning Models for the Estimation of Free Energy of Permeation of Small Molecules across Lipid Membranes

Coarse Grained MD Simulation of Bulk and Interfacial Behavior of Mixture of CTAB/SDS Surfactants

Investigating the Nanostructure of the Stratum Corneum Lipid Matrix: A Combined Neutron Diffraction & Molecular Dynamics Simulations Approach

Computational Screening of Umami Tastants Using Deep Learning

In Silico 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

10 results in Authors: Beena Rai