Molecular modeling for the design of novel performance chemicals and materials

por Rai, Beena
Publicado 2012

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

por Gupta, Rakesh, Rai, Beena
Publicado 2017

Computational property predictions of Ta–Nb–Hf–Zr high-entropy alloys

por Mishra, Shashank, Maiti, Soumyadipta, Rai, Beena
Publicado 2021

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

por Badhe, Yogesh, Gupta, Rakesh, Rai, Beena
Publicado 2021

Modified variational autoencoder for inversely predicting plasmonic nanofeatures for generating structural color

por Pillai, Prajith, Rai, Beena, Pal, Parama
Publicado 2023

Applied machine learning for predicting the lanthanide-ligand binding affinities

por Chaube, Suryanaman, Goverapet Srinivasan, Sriram, Rai, Beena
Publicado 2020

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

por Badhe, Yogesh, Sharma, Pradyumn, Gupta, Rakesh, Rai, Beena
Publicado 2023

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

por Gupta, Rakesh, Badhe, Yogesh, Rai, Beena, Mitragotri, Samir
Publicado 2020

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

por Gupta, Rakesh, Dwadasi, Balarama Sridhar, Rai, Beena, Mitragotri, Samir
Publicado 2019

Realistic microstructure evolution of complex Ta-Nb-Hf-Zr high-entropy alloys by simulation techniques

por Mishra, Shashank, Maiti, Soumyadipta, Dwadasi, Balarama Sridhar, Rai, Beena
Publicado 2019

Zero-shot transfer learned generic AI models for prediction of optimally ripe climacteric fruits

por Dutta, Jayita, Patwardhan, Manasi, Deshpande, Parijat, Karande, Shirish, Rai, Beena
Publicado 2023

Leveraging long short-term memory (LSTM)-based neural networks for modeling structure–property relationships of metamaterials from electromagnetic responses

por Pillai, Prajith, Pal, Parama, Chacko, Rinu, Jain, Deepak, Rai, Beena
Publicado 2021

Development of an insilico model of eccrine sweat using molecular modelling techniques

por Deshpande, Parijat, Ravikumar, Bharath, Tallur, Siddharth, Paul, Debjani, Rai, Beena
Publicado 2022

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

por Verma, Nitu, Badhe, Yogesh, Gupta, Rakesh, Maparu, Auhin Kumar, Rai, Beena
Publicado 2022

Data based predictive models for odor perception

por Chacko, Rinu, Jain, Deepak, Patwardhan, Manasi, Puri, Abhishek, Karande, Shirish, Rai, Beena
Publicado 2020

Coronavirus: a comparative analysis of detection technologies in the wake of emerging variants

por Sharma, Shagun, Shrivastava, Surabhi, Kausley, Shankar B., Rai, Beena, Pandit, Aniruddha B.
Publicado 2022

Information Extraction and Graph Representation for the Design of Formulated Products

por Sunkle, Sagar, Saxena, Krati, Patil, Ashwini, Kulkarni, Vinay, Jain, Deepak, Chacko, Rinu, Rai, Beena
Publicado 2020

An inherent instability study using ab initio computational methods and experimental validation of Pb(SCN)(2) based perovskites for solar cell applications

por Dutta, Jayita, Chennamkulam Ajith, Mithun, Dutta, Soumya, R. Kadhane, Umesh, Kochupurackal B, Jinesh, Rai, Beena
Publicado 2020