Publications by authors named "Alankar Roy"

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Conformational flexibility and rotational binding shifts in W104C mutant MECP2-DNA complexes: A molecular simulation study.
Mowmita Saha, Ishani Paul, Soumyadeep Ray, Alankar Roy, Soumili Pyne

Biochem Biophys Res Commun· September 2025

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Exploring the novel protein drug target BAG33339.1 of : an integrative subtractive proteomics and structural dynamics study.
Ishani Paul, Alankar Roy, Soumyadeep Ray, Soumili Pyne, Mowmita Saha

J Biomol Struct Dyn· September 2025

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An in silico vaccinomics strategy to develop multiepitope vaccine using essential hypothetical protein as a target against Brevundimonas subvibrioides: A combined subtractive proteomics and immunoinformatics approach.
Ishani Paul, Alankar Roy, Tista Sarkar, Shounak Dutta, Sujay Ray

Microb Pathog· August 2025

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Unlocking the influence of PNPLA3 mutations on lipolysis: Insights into lipid droplet formation and metabolic dynamics in metabolic dysfunction-associated steatotic liver disease.
Alankar Roy, Ishani Paul, Priyanka Chakraborty, Adrija Saha, Sujay Ray

Biochim Biophys Acta Gen Subj· March 2025

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Molecular Evolution of Paralogous Cold Shock Proteins in E. coli: A Study of Asymmetric Divergence and Protein Functional Networks.
Alankar Roy, Sujay Ray

Mol Biotechnol· January 2025

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Exploring B-cell epitope conservation and antigenicity shift in current COVID-19 variants: Analyzing spike-antibody interactions for therapeutic uses.
Alankar Roy, Ishani Paul, Tanwi Paul, Aritrika Dihidar, Sujay Ray

Biochem Biophys Res Commun· December 2024

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Integrating structure-guided and fragment-based inhibitor design to combat bedaquiline resistant : a molecular dynamics study.
Alankar Roy, Prantik Banerjee, Ishani Paul, Ritam Ghosh, Sujay Ray

J Biomol Struct Dyn· December 2024

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Molecular hybridization assisted multi-technique approach for designing USP21 inhibitors to halt catalytic triad-mediated nucleophilic attack and suppress pancreatic ductal adenocarcinoma progression: A molecular dynamics study.
Alankar Roy, Sayan Sharma, Ishani Paul, Sujay Ray

Comput Biol Med· November 2024

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An in-silico scaffold- hopping approach to design novel inhibitors against gp130: A potential therapeutic application in cancer and Covid-19.
Alankar Roy, Ishani Paul, Shreya Luharuka, Sujay Ray

Mol Divers· October 2024

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Mutations in LIFR rewire the JAK/STAT signaling pathway: A study unveiling mechanistic details of Stüve-Wiedemann syndrome.
Ishani Paul, Alankar Roy, Debangana Chakrabarti, Chandreyee Nandi, Sujay Ray

Comput Biol Med· September 2024

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An receptor-pharmacophore based multistep molecular docking and simulation study to evaluate the inhibitory potentials against NS1 of DENV-2.
Alankar Roy, Ishani Paul, Tanwi Paul, Kabyashree Hazarika, Aritrika Dihidar

J Biomol Struct Dyn· August 2024

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Traversing DNA-Protein Interactions Between Mesophilic and Thermophilic Bacteria: Implications from Their Cold Shock Response.
Alankar Roy, Sujay Ray

Mol Biotechnol· April 2024

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Elucidation of the structural dynamics of mutations in PHB2 protein associated with growth suppression and cancer progression.
Susmita Khatua, Alankar Roy, Pritha Sen, Sujay Ray

Gene· January 2024

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Molecular Design of Novel Inhibitor by Targeting IL-6Rα using Combined Pharmacophore and Experimentally Verified Plant Products with Scaffold-Hopping Techniques: A Dual Therapeutic Strategy for COVID-19 and Cancer.
Ishani Paul, Alankar Roy, Sujay Ray

Chem Biodivers· December 2023

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Design and development of novel potential inhibitors of the human USP21 enzyme using a pharmacophore-based virtual screening technique.
Alankar Roy, Shreya Luharuka, Ishani Paul, Sujay Ray

J Mol Recognit· July 2023

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An in-silico study to understand the effect of lineage diversity on cold shock response: unveiling protein-RNA interactions among paralogous CSPs of .
Alankar Roy, Sujay Ray

3 Biotech· July 2023

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