Rajarshi Roy (R Roy)

Loop profile ORCID

Publication Activity (10 Years)

Years Active: 2020-2024
Publications (10 Years): 20

Top Venues

Journal of biomolecular structure & dynamics

SAR and QSAR in environmental research

The journal of physical chemistry. B

ACS omega

Indian Institute of Technology Indore (PHD)

This page only lists publications with an associated author ORCID identifier.

Education History

Indian Institute of Technology Indore Jun 20 2017

India

PHD :: Biosciences and Biomedical Engineering

University of Kalyani

India

MSC :: Biophysics

University of Calcutta

India

BSC :: Physics

Publications

Sayan Poddar, Rajarshi Roy, Parimal Kar
The conformational dynamics of Hepatitis C Virus E2 glycoprotein with the increasing number of N -glycosylation unraveled by molecular dynamics simulations. Journal of biomolecular structure & dynamics (2024)
Sayan Poddar, Rajarshi Roy, Parimal Kar
Elucidating the conformational dynamics of histo-blood group antigens and their interactions with the rotavirus spike protein through computational lens. Journal of biomolecular structure & dynamics (2023)
Suman Koirala, Rajarshi Roy, Sunanda Samanta, Subhasmita Mahapatra, Parimal Kar
Plant derived active compounds of ayurvedic neurological formulation, Saraswatharishta as a potential dual leucine zipper kinase inhibitor: an in-silico study. Journal of biomolecular structure & dynamics (2023)
Dharmendra Kashyap, Rajarshi Roy, Nidhi Varshney, Budhadev Baral, Pranit Hemant Bagde, Meenakshi Kandpal, Sachin Kumar, Parimal Kar, Hem Chandra Jha
Withania somnifera extract reduces gastric cancerous properties through inhibition of gankyrin in cellular milieu produced by Helicobacter pylori and Epstein Barr virus. Journal of biomolecular structure & dynamics (2023)
Md Fulbabu Sk, Nisha Amarnath Jonniya, Rajarshi Roy, Parimal Kar
Unraveling the Molecular Mechanism of Recognition of Selected Next-Generation Antirheumatoid Arthritis Inhibitors by Janus Kinase 1. ACS omega 7 (7) (2022)
Dharmendra Kashyap, Rajarshi Roy, Parimal Kar, Hem Chandra Jha
Plant-derived active compounds as a potential nucleocapsid protein inhibitor of SARS-CoV-2: an in-silico study. Journal of biomolecular structure & dynamics (2022)
Saumya Jaiswal, Rajarshi Roy, Surjendu Bikash Dutta, Suman Bishnoi, Parimal Kar, Abhijeet Joshi, Debasis Nayak, Sharad Gupta
Role of Doxorubicin on the Loading Efficiency of ICG within Silk Fibroin Nanoparticles. ACS biomaterials science & engineering 8 (7) (2022)
Nisha Amarnath Jonniya, Md Fulbabu Sk, Rajarshi Roy, Parimal Kar
Discovery of potential competitive inhibitors against With-No-Lysine kinase 1 for treating hypertension by virtual screening, inverse pharmacophore-based lead optimization, and molecular dynamics simulations. SAR and QSAR in environmental research 33 (2) (2022)
Rajarshi Roy, Nisha Amarnath Jonniya, Parimal Kar
Effect of Sulfation on the Conformational Dynamics of Dermatan Sulfate Glycosaminoglycan: A Gaussian Accelerated Molecular Dynamics Study. The journal of physical chemistry. B 126 (21) (2022)
Md Fulbabu Sk, Nisha Amarnath Jonniya, Rajarshi Roy, Parimal Kar
Phosphorylation-Induced Conformational Dynamics and Inhibition of Janus Kinase 1 by Suppressors of Cytokine Signaling 1. The journal of physical chemistry. B 126 (17) (2022)
Satyam Singh, Revathy Sahadevan, Rajarshi Roy, Mainak Biswas, Priya Ghosh, Parimal Kar, Avinash Sonawane, Sushabhan Sadhukhan
Structure-based design and synthesis of a novel long-chain 4''-alkyl ether derivative of EGCG as potent EGFR inhibitor: in vitro and in silico studies. RSC advances 12 (28) (2022)
Rajarshi Roy, Md Fulbabu Sk, Omprakash Tanwar, Parimal Kar
Computational studies indicated the effectiveness of human metabolites against SARS-Cov-2 main protease. Molecular diversity (2022)
Rajarshi Roy, Sayan Poddar, Md Fulbabu Sk, Parimal Kar
Conformational preferences of triantennary and tetraantennary hybrid N-glycans in aqueous solution: Insights from 20 μs long atomistic molecular dynamic simulations. Journal of biomolecular structure & dynamics (2022)
Sheeba Rehman, Suman Bishnoi, Rajarshi Roy, Anshu Kumari, Harikrishnan Jayakumar, Sharad Gupta, Parimal Kar, Asit K Pattnaik, Debasis Nayak
Emerging Biomedical Applications of the Vesicular Stomatitis Virus Glycoprotein. ACS omega 7 (37) (2022)
Md Fulbabu Sk, S Haridev, Rajarshi Roy, Parimal Kar
Investigating potency of TMC-126 against wild-type and mutant variants of HIV-1 protease: a molecular dynamics and free energy study. SAR and QSAR in environmental research 32 (11) (2021)
Rajarshi Roy, Md Fulbabu Sk, Nisha Amarnath Jonniya, Sayan Poddar, Parimal Kar
Finding potent inhibitors against SARS-CoV-2 main protease through virtual screening, ADMET, and molecular dynamics simulation studies. Journal of biomolecular structure & dynamics (2021)
Rajarshi Roy, Nisha Amarnath Jonniya, Sayan Poddar, Md Fulbabu Sk, Parimal Kar
Unraveling the Molecular Mechanism of Recognition of Human Interferon-Stimulated Gene Product 15 by Coronavirus Papain-Like Proteases: A Multiscale Simulation Study. Journal of chemical information and modeling (2021)
Md Fulbabu Sk, Rajarshi Roy, Parimal Kar
Exploring the potency of currently used drugs against HIV-1 protease of subtype D variant by using multiscale simulations. Journal of biomolecular structure & dynamics 39 (3) (2020)
Md Fulbabu Sk, Rajarshi Roy, Nisha Amarnath Jonniya, Sayan Poddar, Parimal Kar
Elucidating biophysical basis of binding of inhibitors to SARS-CoV-2 main protease by using molecular dynamics simulations and free energy calculations. Journal of biomolecular structure & dynamics 39 (10) (2020)
Rajarshi Roy, Anurag Mishra, Sayan Poddar, Debasis Nayak, Parimal Kar
Investigating the mechanism of recognition and structural dynamics of nucleoprotein-RNA complex from Peste des petits ruminants virus via Gaussian accelerated molecular dynamics simulations. Journal of biomolecular structure & dynamics (2020)

Rajarshi Roy.css-eqlu8i{font-size:small;padding-left:4px;} (R Roy)

Publication Activity (10 Years)

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Top Venues

Rajarshi Roy (R Roy)