Rakesh Gupta

54-B, Hadapsar Industrial Estate
Pune, MH 411013, India

Last Updated: 09/26/2026

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Found 45 publications

CAGE ionic liquids meet biomembranes: unraveling molecular mechanisms and partitioning kinetics.

CAGE ionic liquids meet biomembranes: unraveling molecular mechanisms and partitioning kinetics.

Journal: Soft matter
Published: July 01, 2026

Interaction of Choline-Based Ionic Liquids with Model Lipid Membranes: Force-Field Parametrization and Membrane Partitioning.

Interaction of Choline-Based Ionic Liquids with Model Lipid Membranes: Force-Field Parametrization and Membrane Partitioning.

Journal: The journal of physical chemistry. B
Published: March 05, 2026

Predictive Machine Learning Models for Olfaction.

Predictive Machine Learning Models for Olfaction.

Journal: Methods in molecular biology (Clifton, N.J.)
Published: April 18, 2025

Computational screening of umami tastants using deep learning.

Computational screening of umami tastants using deep learning.

Journal: Molecular diversity
Published: July 01, 2024

Coarse grained MD simulation of bulk and interfacial behavior of mixture of CTAB/SDS surfactants.

Coarse grained MD simulation of bulk and interfacial behavior of mixture of CTAB/SDS surfactants.

Journal: Journal of molecular modeling
Published: October 03, 2023

Classification of tastants: A deep learning based approach.

Classification of tastants: A deep learning based approach.

Journal: Molecular informatics
Published: June 14, 2023

Corrigendum to "Investigating the nanostructure of a CER[NP]/CER[AP]-based stratum corneum lipid matrix model: A combined neutron diffraction & molecular dynamics simulations approach" [Biochim. Biophys. Acta - Biomembr., volume 1864, Issue 10, (2022) 184007].

Corrigendum to "Investigating the nanostructure of a CER[NP]/CER[AP]-based stratum corneum lipid matrix model: A combined neutron diffraction & molecular dynamics simulations approach" [Biochim. Biophys. Acta - Biomembr., volume 1864, Issue 10, (2022) 184007].

Journal: Biochimica et biophysica acta. Biomembranes
Published: April 06, 2023

Subcutaneous Drug Delivery: A Review of the State-of-the-Art Modeling and Experimental Techniques.

Subcutaneous Drug Delivery: A Review of the State-of-the-Art Modeling and Experimental Techniques.

Journal: Journal of biomechanical engineering
Published: May 11, 2022

Elucidating collective translocation of nanoparticles across the skin lipid matrix: a molecular dynamics study.

Elucidating collective translocation of nanoparticles across the skin lipid matrix: a molecular dynamics study.

Journal: Nanoscale advances
Published: April 19, 2022

Investigating the nanostructure of a CER[NP]/CER[AP]-based stratum corneum lipid matrix model: A combined neutron diffraction & molecular dynamics simulations approach.

Investigating the nanostructure of a CER[NP]/CER[AP]-based stratum corneum lipid matrix model: A combined neutron diffraction & molecular dynamics simulations approach.

Journal: Biochimica et biophysica acta. Biomembranes
Published: March 19, 2022

Multiscale modeling of skin mechanical Behavior: Effect of dehydrating agent on Collagen's mechanical properties.

Multiscale modeling of skin mechanical Behavior: Effect of dehydrating agent on Collagen's mechanical properties.

Journal: Journal of biomechanics
Published: March 14, 2022

Peptide mediated colorimetric detection of SARS-CoV-2 using gold nanoparticles: a molecular dynamics simulation study.

Peptide mediated colorimetric detection of SARS-CoV-2 using gold nanoparticles: a molecular dynamics simulation study.

Journal: Journal of molecular modeling
Published: December 27, 2021
Showing 1-12 of 45

Last Updated: 09/26/2026