Sayan Poddar

Indian Institute of Technology Roorkee — India

Biochemistry, Genetics and Molecular Biology · Life Sciences

8h-index282citations29works0.82yr avg
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Research Topics

Protein Structure and Dynamics(13), Computational Drug Discovery Methods(6), Glycosylation and Glycoproteins Research(6), Mosquito-borne diseases and control(4), Carbohydrate Chemistry and Synthesis(4)

Publications29 total

Draft genomes of four multidrug-resistant (MDR) Gammaproteobacteria from biofilm on hemodialysis catheters in Gujarat, India
Microbiology Resource Announcements·2026Open Access
Diosgenin and oleanolic acid interact with the SARS-CoV-2 Envelope protein and modulate viroporin-related cellular phenotypes
In Silico Research in Biomedicine·2026Open Access
Biosorption-based elimination of hexavalent chromium using Bacillus cereus F4810/72 isolated from tannery effluents
Biodegradation·2025
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
Deciphering the molecular choreography of Janus kinase 2 inhibition via Gaussian accelerated molecular dynamics simulations: a dynamic odyssey
Journal of Computer-Aided Molecular Design·2024· 2 cited
Protein S-palmitoylation is markedly inhibited by 4″-alkyl ether lipophilic derivatives of EGCG, the major green tea polyphenol: In vitro and in silico studies
Biochimica et Biophysica Acta (BBA) - Biomembranes·2023· 6 cited
Molecular level investigation for identifying potential inhibitors against thymidylate kinase of monkeypox through <i>in silico</i> approaches
Journal of Biomolecular Structure and Dynamics·2023· 5 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
Microsecond dynamics of <scp>H10N7</scp> influenza neuraminidase reveals the plasticity of loop regions and drug resistance due to the <scp>R292K</scp> mutation
Journal of Computational Chemistry·2023· 8 citedOpen Access
Computer-aided Affinity Enhancement of a Cross-reactive Antibody against Dengue Virus Envelope Domain III
Cell Biochemistry and Biophysics·2023· 3 cited
Structural analysis of human ATE1 isoforms and their interactions with Arg-tRNA <sub>Arg</sub>
Journal of Biomolecular Structure and Dynamics·2023· 2 cited
Computer-aided affinity enhancement of a cross-reactive antibody against dengue virus envelope domain III
Research Square (Research Square)·2023Open Access
Comparison of the conformational dynamics of an N-glycan in implicit and explicit solvents
Carbohydrate Research·2022· 5 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
Conformational Preferences of an N-Glycan in Aqueous Solution: A Case Study for Evaluating the Accuracy of Generalized Born Model
SSRN Electronic Journal·2022· 1 citedOpen Access
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· 13 cited
Finding potent inhibitors against SARS-CoV-2 main protease through virtual screening, ADMET, and molecular dynamics simulation studies
Journal of Biomolecular Structure and Dynamics·2021· 26 citedOpen Access
Computational Investigation of Structural Dynamics of SARS-CoV-2 Methyltransferase-Stimulatory Factor Heterodimer nsp16/nsp10 Bound to the Cofactor SAM
Frontiers in Molecular Biosciences·2020· 46 citedOpen Access
Investigating the mechanism of recognition and structural dynamics of nucleoprotein-RNA complex from <i>Peste des petits ruminants virus</i> via Gaussian accelerated molecular dynamics simulations
Journal of Biomolecular Structure and Dynamics·2020· 26 cited
Conformational Preferences of Triantennary and Tetraantennary Hybrid N-Glycans in Solution: Insights from 20 μS Long Atomistic Molecular Dynamic Simulations
2020Open Access
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Frequent Co-authors

Parimal Kar(25), Rajarshi Roy(15), Md Fulbabu Sk(13), Nisha Amarnath Jonniya(12), Sunanda Samanta(3), Subhasmita Mahapatra(3), Rajarshi Roy(3), Arghyadeep Bhattacharjee(2), Anurag Mishra(1), Debasis Nayak(1), Devlina Chakravarty(1), Pinak Chakrabarti(1), Anupama Binoy(1), Manan Kothari(1), Revathy Sahadevan(1), Sushabhan Sadhukhan(1), Suman Koirala(1), Kapil Dattatray Ursal(1), Rahul Naga(1), Avishek Bose(1)