BITS Pilani

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Publications

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Publications

Publications

1. Syeda Lubna, Suma Chinta, Prakruthi Burra, Kiranmayi Vedantham, Sibnath Ray, and Debashree Bandyopadhyay, “Recent substitutions on NS1 protein from influenza A (H1N1) virus: Study on Indian isolates within the period 2009 to 2020” (Manuscript under revision)

2.   Utsav Kaushal, Vaadeendra Burra, Kshithij Verma, Ali Akbar Safdari, Deepanshu Mody, Chanda Sai Keshav, Sibnath Ray and Debashree Bandyopadhyay "Fast and cost-effective prediction of COVID-19 based on routine blood test from different ethnic groups using machine learning algorithms" (manuscript under preparation)

3.     Sharayu G, Adrija A Dutta, Shubhomay Panda and Debashree Bandyopadhyay "Computation of free energy changes based on changes in protein microenvironments during first order/pseudo-first order biochemical reactions: Concept tested on ligand/drug binding to SARS-COV2 proteins" (manuscript under preparation)

4. Vamsi Nallapareddy, Shubham Rajendra Bogam, Himaja Debrakonda, Shubham Paliwal and Debashree Bandyopadhyay, “DeepCys: structure-based multiple cysteine function prediction method trained on deep neural network: case study on Domains of Unknown Functions (DUFs) belonging to COX2 domains" Proteins: Structure Function and Bioinformatics 2021; 89, 745-761 DOI: 10.1002/prot.26056

5.     Debashree Bandyopadhyay, Akshay Bhatnagar, Shobhit Jain and Prabhav Pratyaksh, “Selective stabilization of aspartic acid protonation state within a given protein conformation occurs via specific ‘molecular association’” J. Phys. Chem. B. 2020, 124, 5350-5361, https://dx.doi.org/10.1021/acs.jpcb.0c02629

6.     Aditya, A. Kalyani, S. Singh, M. Bandyopadhyay, D. and Naga Mohan, K., CalPen (Calculator of Penetrance), a web-based tool for estimation of penetrance in genetic studies of complex disorders POLS ONE (2020), 15(1): e0228156, https://doi.org/10.1371/journal.pone.0228156;

7.     Akshay Bhatnagar and Debashree Bandyopadhyay, “Characterization of cysteine thiol modifications based on protein microenvironments and local secondary structures”, Proteins; Structure, Function and Bioinformatics (2018), 86(2), 192-209 DOI:10.1002/prot.25424,

8.     Akshay Bhatnagar and Debashree Bandyopadhyay, “Cover image”, Proteins: Structure Function and Bioinformatics (2018) 86 (2) pages: C1, DOI:10.1002/prot.25447,

9.     Akshay Bhatnagar, Marcin Apostol, Debashree Bandyopadhyay "Amino acid function relates to its embedded protein microenvironment: A study on disulphide-bridged cystine", Proteins: Structure Function Bioinformatics (2016) 84, 1576-1589

10. Sheik saleem Pasha; Pradip  Das; Nigam  P. Rath; Debashree  Bandyopadhyay; Nikhil  R. Jana, Inamur R. Laskar, "Water Soluble Luminescent Cyclometalated Platinum(II) Complex - A Suitable Probe for Bio-imaging Applications", Inorganic. Chemistry Communication (2016), 67, 107-111

11. Sheik Saleem Pasha, Parvej Alam, Subhra Dash, Gurpreet Kaur, Debashree Bandyopadhyay, Rajdeep Chowdhury, , Nigam Rath, Angshuman Roy Choudhury, Inamur R. Laskar, "Rare Observation ofAggregation Induced Emissionin Cyclometalated Platinum(II) Complexes and their Biological Activities, RSC Advances, (2014), 4, 50549-50553,  DOI: 10.1039/C4RA06623E

12. Parvej Alam, Maheswararao Karanam, Debashree Bandyopadhyay, Angshuman Roy Choudhury, Inamur Rahaman Laskar,Luminescence Vapochromic Properties in a New Class of Aggregation Induced Emission Active Iridium(III)-Diimine Complexes, European Journal of Inorganic Chemistry, European Journal of Inorganic Chemistry; (2014) 23, 3710-3719, DOI:10.1002/ejic.201402222

13. Akshay Bhatnagar and Debashree Bandyopadhyay,Role of Microenvironment in modulating structure and function of Cystine residues in high-resolution protein cyrstal structures, Proceedings of 4th Annual International Conference on Advances in Biotechnology 2014, pages 35-40.

14. Panigrahi, S., Bhattacharya, A., Bandyopadhyay, D., Bhattacharyya, D., Grabowski, S and Banerjee, S.,Wetting Property of the edges of monoatomic step on graphite:  Frictional-Force Microscopy and ab initio Quantum Chemical Studies, J. Phys. Chem C, 2011, 115, 14819-14826

15. Bandyopadhyay, D . Bortolato, A. Mehler, E.L. and Filizola, M.Improving ab initio long loop predictions in GPCR proteins, Biophys J, 2008; 94(2), Suppl. 1, pages 664-665

16. Bandyopadhyay, D. and Mehler, E.L.,Quantitative Expression of Protein Heterogeneity: Response of Amino Acid Side Chains to Their Local Environment, Proteins: Structure, Function and Bioinformatics, 2008; 72(2):646-59

17. Bandyopadhyay, D. and Mehler, E.L.,Formation of precursor to amyloid protein aggregation in the tau fragment 306VQIVYK311, Biophys J, 224A-224A Suppl. S Jan 2007

18.  Bandyopadhyay, D. and Bhattacharyya, D., (2006)Estimation of Strength in different Extra WatsonCrick Hydrogen Bonds in DNA Double Helices through Quantum chemical studies, Biopolymers, 83, 313-325.

19.  Bandyopadhyay, D. and Bhattacharyya, D., (2003)Different Modes of Interaction between Hydrated Magnesium Ion and DNA Functional Groups: Database Analysis and ab initio Studies, J.Biomol.Struct.Dynam. 21, 447-458,

20.  Bandyopadhyay, D ., and Bhattacharyya, D., (2002) "Effect of Flanking residues on CA and AA dinucleotides: Some Rationale" J. Biomol. Struct. Dynam. 19, 659-667

21.  Bandyopadhyay, D. , and Bhattacharyya, D., (2000) "Effect of Neighboring Bases on Stacking Orientation: A molecular dynamics study" J. Biomol. Struct. Dynam. 18, 29-43

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