Rakesh Gupta

发表

Molecular dynamics simulation study of translocation of fullerene C60 through skin bilayer: effect of concentration on barrier properties.

B. Rai, Rakesh Gupta, R. Gupta, 2017, Nanoscale.

Materials Design in Digital Era: Challenges and Opportunities

B. S. Dwadasi, Mahesh Mynam, B. Rai, 2019, Transactions of the Indian Institute of Metals.

Effect of surface coverage and chemistry on self-assembly of monolayer protected gold nanoparticles: a molecular dynamics simulation study.

B. Rai, Rakesh Gupta, D. B. Sridhar, 2018, Physical chemistry chemical physics : PCCP.

Traditional and emerging applications of microspheres: A Review

C. Nithya, Rakesh Gupta, A. K. Mahato, 2010 .

Formulation development and evaluation of controlled porosity osmotic pump delivery system for oral delivery of atenolol

Rakesh Gupta, G. Rathore, R. Gupta, 2012 .

In-silico screening of database for finding potential sweet molecules: A combined data and structure based modeling approach.

B. Rai, Rakesh Gupta, Anukrati Goel, 2020, Food chemistry.

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

B. Rai, Rakesh Gupta, A. Maparu, 2022, Journal of Molecular Modeling.

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

B. Rai, Rakesh Gupta, A. Maparu, 2020 .

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

B. Rai, Rakesh Gupta, Y. Badhe, 2020, RSC advances.

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

B. Rai, Rakesh Gupta, A. Maparu, 2022, Journal of Molecular Modeling.

AN OVERVIEW OF MOUTH DISSOLVING FILMS: FORMULATION ASPECTS

M. Gupta, Rakesh Gupta, S. K. Swarnkar, 2017 .

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

B. Rai, Rakesh Gupta, Pradyumn Sharma, 2022, bioRxiv.

Development and application of coarse-grained MARTINI model of skin lipid ceramide [AP]

B. Rai, Rakesh Gupta, Y. Badhe, 2020, Journal of Molecular Modeling.

Penetration of Gold Nanoparticles through Human Skin: Unraveling Its Mechanisms at the Molecular Scale.

B. Rai, Rakesh Gupta, 2016, The journal of physical chemistry. B.

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

R. Neubert, B. Rai, Rakesh Gupta, 2022, Biochimica et biophysica acta. Biomembranes.

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

N. N. Dingari, B. Rai, Rakesh Gupta, 2022, Journal of biomechanics.

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

B. Rai, Rakesh Gupta, D. Jain, 2023, Digital Discovery.

Molecular Dynamics Simulation Study of Skin Lipids: Effects of the Molar Ratio of Individual Components over a Wide Temperature Range.

B. Rai, Rakesh Gupta, R. Gupta, 2015, The journal of physical chemistry. B.

In-Silico Skin Model: A Multiscale Simulation Study of Drug Transport

Kishore Gajula, Beena Rai, B. Rai, 2017, J. Chem. Inf. Model..

Effect of Chemical Permeation Enhancers on Skin Permeability: In silico screening using Molecular Dynamics simulations

Samir Mitragotri, Beena Rai, B. S. Dwadasi, 2019, Scientific Reports.

In-silico design of nanoparticles for transdermal drug delivery application.

B. Rai, Rakesh Gupta, 2018, Nanoscale.

Permeation of nanoparticles across the intestinal lipid membrane: dependence on shape and surface chemistry studied through molecular simulations.

S. Mitragotri, B. Rai, Rakesh Gupta, 2020, Nanoscale.

Molecular Dynamics Simulation of Skin Lipids: Effect of Ceramide Chain Lengths on Bilayer Properties.

B. S. Dwadasi, B. Rai, Rakesh Gupta, 2016, The journal of physical chemistry. B.

Impact of the ceramide subspecies on the nanostructure of stratum corneum lipids using neutron scattering and molecular dynamics simulations. Part I: impact of CER[NS].

R. Neubert, B. Dobner, B. Rai, 2018, Chemistry and physics of lipids.

An Overview of Novel Techniques employed in Mouth Dissolving Drug Delivery System

M. Gupta, Rakesh Gupta, S. K. Swarnkar, 2018 .

A REVIEW ON CAPTOPRIL ORAL SUSTAINED/CONTROLLED RELEASEFORMULATIONS

Rakesh Gupta, A. K. Mahato, C. Shanthi, 2010 .

Effect of Size and Surface Charge of Gold Nanoparticles on their Skin Permeability: A Molecular Dynamics Study

Beena Rai, B. Rai, Rakesh Gupta, 2017, Scientific Reports.

Effect of Chemical Permeation Enhancers on Skin Permeability: In silico screening using Molecular Dynamics simulations

B. S. Dwadasi, S. Mitragotri, B. Rai, 2019, Scientific Reports.

Molecular mechanism of the skin permeation enhancing effect of ethanol: a molecular dynamics study

S. Mitragotri, B. Rai, Rakesh Gupta, 2020, RSC advances.

Multiscale Modeling of Skin Electroporation.

B. Rai, Rakesh Gupta, Kishore Gajula, 2020, Langmuir : the ACS journal of surfaces and colloids.

Transdermal cellular membrane penetration of proteins with gold nanoparticles: a molecular dynamics study.

Beena Rai, B. Rai, Rakesh Gupta, 2017, Physical chemistry chemical physics : PCCP.

Molecular Dynamics Simulation Study of Permeation of Molecules through Skin Lipid Bilayer.

Beena Rai, B. Rai, Rakesh Gupta, 2016, The journal of physical chemistry. B.

Modeling the effect of pH on the permeability of dried chitosan film

B. Rai, Rakesh Gupta, Shankar B. Kausley, 2023, Journal of Food Engineering.

Multiscale Modeling of Molecule Transport through Skin’s Deeper Layers

B. Rai, Rakesh Gupta, Nitu Verma, 2023, Computational Toxicology.

Structural and barrier properties of the skin ceramide lipid bilayer: a molecular dynamics simulation study

Beena Rai, B. Rai, Rakesh Gupta, 2019, Journal of Molecular Modeling.

Computer-Aided Design of Nanoparticles for Transdermal Drug Delivery.

B. Rai, Rakesh Gupta, R. Gupta, 2020, Methods in molecular biology.

Transdermal cellular membrane penetration of proteins with gold nanoparticles: a molecular dynamics study.

B. Rai, Rakesh Gupta, Nishi Kashyap, 2017, Physical chemistry chemical physics : PCCP.