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Journal

Journal of Biomolecular Structure and Dynamics

Taylor & Francis

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IITD Publications
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Open Access

Publications by Year

IITD Publications 10

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Virtual screening, ADMET prediction and dynamics simulation of potential compounds targeting the main protease of SARS-CoV-2
2020 79 citations OA Vol. 39 No. 17 pp. 6617–6632 DOI
Promising inhibitors of main protease of novel corona virus to prevent the spread of COVID-19 using docking and molecular dynamic…
2020 73 citations OA Vol. 39 No. 13 pp. 4671–4685 DOI
Withanone and Withaferin-A are predicted to interact with transmembrane protease serine 2 (TMPRSS2) and block entry of SARS-CoV-2…
2020 170 citations OA Vol. 40 No. 1 pp. 1–13 DOI
A computational prediction of SARS-CoV-2 structural protein inhibitors from Azadirachta indica (Neem)
2020 115 citations OA Vol. 39 No. 11 pp. 4111–4121 DOI
Withanone and caffeic acid phenethyl ester are predicted to interact with main protease (M pro ) of SARS-CoV-2 and inhibit its ac…
2020 149 citations OA Vol. 39 No. 11 pp. 3842–3854 DOI
Understanding the binding affinity of noscapines with protease of SARS-CoV-2 for COVID-19 using MD simulations at different tempe…
2020 109 citations OA Vol. 39 No. 7 pp. 2659–2672 DOI
Targeting SARS-CoV-2: a systematic drug repurposing approach to identify promising inhibitors against 3C-like proteinase and 2′-O…
2020 344 citations OA Vol. 39 No. 8 pp. 2679–2692 DOI
NSAIDs as potential treatment option for preventing amyloid β toxicity in Alzheimer’s disease: an investigation by docking, molec…
2017 123 citations Closed Vol. 36 No. 8 pp. 2099–2117 DOI
Curcumin specifically binds to the human calcium–calmodulin-dependent protein kinase IV: fluorescence and molecular dynamics simu…
2015 75 citations Closed Vol. 34 No. 3 pp. 572–584 DOI
A Stoichiometry Driven Universal Spatial Organization of Backbones of Folded Proteins: Are there Chargaff's Rules for Protein Fol…
2010 100 citations Closed Vol. 28 No. 2 pp. 133–142 DOI

Top IITD Authors

2 papers
Sreedevi Upadhyayula
Chemical Engineering
1 papers
Amita Pathak
Chemistry
1 papers
1 papers
1 papers
1 papers
1 papers

Source Details

TypeJournal
Open Access No
In DOAJ No
PublisherTaylor & Francis
ISSN0739-11021538-0254
ISSN-L0739-1102
Last Synced Oct 14, 2026
OpenAlex ID S178711970
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