Rajarshi Roy

Purdue University West Lafayette — United States

Biochemistry, Genetics and Molecular Biology · Life Sciences

13h-index538citations47works2.72yr avg
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Research Topics

Protein Structure and Dynamics(12), Computational Drug Discovery Methods(10), Glycosylation and Glycoproteins Research(8), Carbohydrate Chemistry and Synthesis(6), Malaria Research and Control(3)

Publications47 total

Predicting immune response targets in orthoflaviviruses through sequence homology and computational analysis
Journal of Molecular Modeling·2024
The conformational dynamics of Hepatitis C Virus E2 glycoprotein with the increasing number of <i>N</i> -glycosylation unraveled by molecular dynamics simulations
Journal of Biomolecular Structure and Dynamics·2024· 2 cited
4″-Alkyl EGCG Derivatives Induce Cytoprotective Autophagy Response by Inhibiting EGFR in Glioblastoma Cells
ACS Omega·2024· 6 citedOpen Access
Activation-induced cytidine deaminase an antibody diversification enzyme interacts with chromatin modifier UBN1 in B-cells
Scientific Reports·2023· 2 citedOpen Access
Computational insights into VacA toxin inhibition: harnessing FDA-approved antibiotics against <i>Helicobacter pylori</i>
Journal of Biomolecular Structure and Dynamics·2023· 3 cited
Elucidating the conformational dynamics of histo-blood group antigens and their interactions with the rotavirus spike protein through computational lens
Journal of Biomolecular Structure and Dynamics·2023
Plant derived active compounds of ayurvedic neurological formulation, Saraswatharishta as a potential dual leucine zipper kinase inhibitor: an <i>in-silico</i> study
Journal of Biomolecular Structure and Dynamics·2023· 4 cited
<i>Withania somnifera</i> extract reduces gastric cancerous properties through inhibition of gankyrin in cellular milieu produced by <i>Helicobacter pylori</i> and Epstein Barr virus
Journal of Biomolecular Structure and Dynamics·2023· 5 cited
<i>Withania somnifera</i> extract reduces gastric cancerous properties through inhibition of gankyrin in cellular milieu produced by <i>Helicobacter pylori</i> and Epstein Barr virus
Figshare·2023Open Access
Activation-induced cytidine deaminase, an antibody diversification enzyme, interacts with chromatin modifier UBN1 in B-cells
Research Square (Research Square)·2022Open Access
Comparison of the conformational dynamics of an N-glycan in implicit and explicit solvents
Carbohydrate Research·2022· 5 cited
Emerging Biomedical Applications of the Vesicular Stomatitis Virus Glycoprotein
ACS Omega·2022· 12 citedOpen Access
Computational studies indicated the effectiveness of human metabolites against SARS-Cov-2 main protease
Molecular Diversity·2022· 7 citedOpen Access
Role of Doxorubicin on the Loading Efficiency of ICG within Silk Fibroin Nanoparticles
ACS Biomaterials Science & Engineering·2022· 7 cited
Effect of Sulfation on the Conformational Dynamics of Dermatan Sulfate Glycosaminoglycan: A Gaussian Accelerated Molecular Dynamics Study
The Journal of Physical Chemistry B·2022· 15 cited
Plant-derived active compounds as a potential nucleocapsid protein inhibitor of SARS-CoV-2: an <i>in-silico</i> study
Journal of Biomolecular Structure and Dynamics·2022· 9 cited
Comparative Structural Dynamics of Isoforms of Helicobacter pylori Adhesin BabA Bound to Lewis b Hexasaccharide via Multiple Replica Molecular Dynamics Simulations
Frontiers in Molecular Biosciences·2022· 6 citedOpen Access
Phosphorylation-Induced Conformational Dynamics and Inhibition of Janus Kinase 1 by Suppressors of Cytokine Signaling 1
The Journal of Physical Chemistry B·2022· 9 cited
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 and Dynamics·2022· 7 citedOpen Access
Unraveling the Molecular Mechanism of Recognition of Selected Next-Generation Antirheumatoid Arthritis Inhibitors by Janus Kinase 1
ACS Omega·2022· 20 citedOpen Access
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Frequent Co-authors

Parimal Kar(37), Md Fulbabu Sk(16), Sayan Poddar(15), Nisha Amarnath Jonniya(13), Debasis Nayak(4), Hem Chandra Jha(4), Satyam Singh(3), Sushabhan Sadhukhan(3), Dharmendra Kashyap(3), Nidhi Varshney(3), Pranit Hemant Bagde(3), Revathy Sahadevan(2), Priya Ghosh(2), Avinash Sonawane(2), Suman Bishnoi(2), Sharad Gupta(2), Budhadev Baral(2), Meenakshi Kandpal(2), Kumar Sachin(2), Suman Koirala(2)