- Yadav, S., Ahamad, S., Gupta, D. & Mathur, P. Lead optimization, pharmacophore development and scaffold design of protein kinase CK2 inhibitors as potential COVID-19 therapeutics. J Biomol Struct Dyn 41, 1811-1827 (2023).
- Ahmad, S., Gupta, D., Ahmed, T. & Islam, A. Designing of new tetrahydro-β-carboline-based ABCG2 inhibitors using 3D-QSAR, molecular docking, and DFT tools. Journal of Biomolecular Structure and Dynamics, 1-12 (2023).
- Ahamad, S., Ali, H., Secco, I., Giacca, M. & Gupta, D. Anti-Fungal Drug Anidulafungin Inhibits SARS-CoV-2 Spike-Induced Syncytia Formation by Targeting ACE2-Spike Protein Interaction. Frontiers in Genetics 13 (2022).
- Ahamad, S., Hema, K., Ahmad, S., Kumar, V. & Gupta, D. Insights into the structure and dynamics of SARS-CoV-2 spike glycoprotein double mutant L452R-E484Q. 3 Biotech 12, 87 (2022)
- Ahmad, S., Hassan, M., Gupta, D., Dwivedi, N. & Islam, A. Design and evaluation of pyrimidine derivatives as potent inhibitors of ABCG2, a breast cancer resistance protein. 3 Biotech 12, 1-17 (2022).
- Bajaj, A. et al. P702 Faecal Microbiota Transplantation Sculpts the faecal and mucosal microbial and metabolomic profiles in patients with Ulcerative Colitis. Journal of Crohn’s and Colitis 16, i598-i601 (2022).
- Gupta, P. et al. Heme Detoxification Protein (PfHDP) is essential for the hemoglobin uptake and metabolism in Plasmodium falciparum. FASEB BioAdvances n/a (2022).
- Joon, H. K., Thalor, A. & Gupta, D. BIO22-027: Exploiting Machine Learning to Unravel Prognostic Biomarkers in Lung Cancer. Journal of the National Comprehensive Cancer Network 20, BIO22-027-BIO022-027 (2022).
- Kaul, S. et al. Latent Tuberculosis Infection Diagnosis among Household Contacts in a High Tuberculosis-Burden Area: a Comparison between Transcript Signature and Interferon Gamma Release Assay. Microbiol Spectr 10, e0244521 (2022).
- Shehzad, S., Pandey, R., Sharma, S. & Gupta, D. ProtPathDB: A Web-based Resource of Parasite Proteases. Current Bioinformatics 17, 710-722 (2022).
- Singh, G. & Gupta, D. In-Silico Functional Annotation of Plasmodium falciparum Hypothetical Proteins to Identify Novel Drug Targets. Frontiers in Genetics 13 (2022).
- Thalor, A., Kumar Joon, H., Singh, G., Roy, S. & Gupta, D. Machine learning assisted analysis of breast cancer gene expression profiles reveals novel potential prognostic biomarkers for triple-negative breast cancer. Computational and Structural Biotechnology Journal (2022)
- Tyagi, N., Sardar, R. & Gupta, D. Natural selection plays a significant role in governing the codon usage bias in the novel SARS-CoV-2 variants of concern (VOC). PeerJ 10, e13562 (2022)
- Roy, S. & Gupta, D. DriverFuse: An R package for analysis of next-generation sequencing datasets to identify cancer driver fusion genes. PLOS ONE 17, e0262686 (2022).
- Yadav S, Ahamad S, Gupta D, Mathur P. Lead optimization, pharmacophore development and scaffold design of protein kinase CK2 inhibitors as potential COVID-19 therapeutics. Journal of Biomolecular Structure and Dynamics. 2022:1-17.
- Vandana, Pandey R, Srinivasan E, Kalia I, Singh AP, Saxena A, et al. Plasmodium falciparum metacaspase-2 capture its natural substrate in a non-canonical way. The Journal of Biochemistry. 2021.
- Sourabh, S. et al. Plasmodium falciparum DDX17 is an RNA helicase crucial for parasite develpment. Biochemistry and Biophysics Reports 26, 101000 (2021).
- Singh, A.P., Kumar, R. & Gupta, D. Structural insights into the mechanism of human methyltransferase hPRMT4. J Biomol Struct Dyn, 1-14 (2021).
- Shehzad, S., Pandey, R., Malhotra, P. & Gupta, D. Computational Design of Novel Allosteric Inhibitors for Plasmodium falciparum DegP. Molecules 26(2021).
- Satish, D., Mukherjee, S.K. & Gupta, D. The landscape of microRNAs in plant viral infections. Plant Gene 26, 100293 (2021).
- Sardar, R., Sharma, A. & Gupta, D. Machine Learning Assisted Prediction of Prognostic Biomarkers Associated With COVID-19, Using Clinical and Proteomics Data. Frontiers in Genetics 12(2021).
- Roy, S., Singh, A.P. & Gupta, D. Unsupervised subtyping and methylation landscape of pancreatic ductal adenocarcinoma. Heliyon 7, e06000-e06000 (2021).
- Roy, Anirban, et al. “Virus-Free Improved Food in the Era of Bacterial Immunity.” Genome Engineering for Crop Improvement. Springer, Cham, 2021. 63-96.
- Prasad, K., Ahamad, S., Kanipakam, H., Gupta, D. & Kumar, V. Simultaneous Inhibition of SARS-CoV-2 Entry Pathways by Cyclosporine. ACS Chemical Neuroscience (2021).
- Prasad K, Ahamad S, Gupta D, Kumar V. Targeting cathepsins: A potential link between COVID-19 and associated neurological manifestations. Heliyon. 2021;7(10):e08089.
- Pandey, R., Gupta, P., Mohmmed, A., Malhotra, P. & Gupta, D. A Plasmodium falciparum protein tyrosine phosphatase inhibitor identified from the ChEMBL-NTD database blocks parasite growth. FEBS Open Bio n/a(2021).
- Onchieku NM, Kumari S, Pandey R, Sharma V, Kumar M, Deshmukh A, et al. Artemisinin Binds and Inhibits the Activity of Plasmodium falciparum Ddi1, a Retroviral Aspartyl Protease. Pathogens. 2021;10(11):1465.
- Hema, K., Ahamad, S., Joon, H.K., Pandey, R. & Gupta, D. Atomic Resolution Homology Models and Molecular Dynamics Simulations of Plasmodium falciparum Tubulins. ACS Omega (2021).
- Gupta D, Sardar R. Bioinformatics of Genome Annotation. Bioinformatics and Human Genomics Research: CRC Press; 2021. p. 7-30.
- Fatima, S. et al. Detection of truncated isoforms of human neuroserpin lacking the reactive center loop: Implications in noninhibitory role. IUBMB Life n/a(2021).
- Biji, A. et al. Identification of COVID-19 prognostic markers and therapeutic targets through meta-analysis and validation of Omics data from nasopharyngeal samples. EBioMedicine 70(2021).
- Ahamad, S., Kanipakam, H., Kumar, V. & Gupta, D. A molecular journey to check the conformational dynamics of tau tubulin kinase 2 mutations associated with Alzheimer’s disease. RSC Advances 11, 1320-1331 (2021).
- Ahamad, S., Kanipakam, H., Birla, S., Ali, M.S. & Gupta, D. Screening Malaria-box compounds to identify potential inhibitors against SARS-CoV-2 Mpro, using molecular docking and dynamics simulation studies. European Journal of Pharmacology 890, 173664-173
- Ahamad, S., Hema, K., Kumar, V. & Gupta, D. The structural, functional, and dynamic effect of Tau tubulin kinase1 upon a mutation: A neuro-degenerative hotspot. J Cell Biochem (2021).
- Ahamad, S., Hema, K. & Gupta, D. Structural stability predictions and molecular dynamics simulations of RBD and HR1 mutations associated with SARS-CoV-2 spike glycoprotein. Journal of Biomolecular Structure and Dynamics, 1-13 (2021).
- Sharma, A., Satish, D., Sharma, S. & Gupta, D. Indian Major Basmati Paddy Seed Varieties Images Dataset. Data in Brief, 106460-106460 (2020).
- Sharma, A., Satish, D., Sharma, S. & Gupta, D. iRSVPred: A Web Server for Artificial Intelligence Based Prediction of Major Basmati Paddy Seed Varieties. Frontiers in Plant Science 10, 1791-1791 (2020).
- Sharma, A., Rani, S. & Gupta, D. Artificial Intelligence-Based Classification of Chest X-Ray Images into COVID-19 and Other Infectious Diseases. International Journal of Biomedical Imaging 2020, 8889023-8889023 (2020).
- Sardar, R., Satish, D. & Gupta, D. Identification of Novel SARS-CoV-2 Drug Targets by Host MicroRNAs and Transcription Factors Co-regulatory Interaction Network Analysis. Frontiers in Genetics 11, 1105-1105 (2020).
- Sardar, R., Satish, D., Birla, S. & Gupta, D. Integrative analyses of SARS-CoV-2 genomes from different geographical locations reveal unique features potentially consequential to host-virus interaction, pathogenesis and clues for novel therapies. Heliyon
- Sardar, R., Satish, D., Birla, S. & Gupta, D. Dataset of mutational analysis, miRNAs targeting SARS-CoV-2 genes and host gene expression in SARS-CoV and SARS-CoV-2 infections. Data in Brief 32, 106207-106207 (2020).
- Sardar, R. et al. In-silico profiling and structural insights into the impact of nSNPs in the P. falciparum acetyl-CoA transporter gene to understand the mechanism of drug resistance in malaria. Journal of biomolecular structure & dynamics, 1-12 (2020).
- Roy, S., Kumar, R., Mittal, V. & Gupta, D. Classification models for Invasive Ductal Carcinoma Progression, based on gene expression data-trained supervised machine learning. Scientific reports 10, 4113-4113 (2020).
- Pandey, R. et al. Plasmodium Condensin Core Subunits SMC2/SMC4 Mediate Atypical Mitosis and Are Essential for Parasite Proliferation and Transmission. Cell reports 30, 1883-1897.e6 (2020).
- Meher, A. et al. Whole-Genome Sequence of Drug-Resistant Mycobacterium tuberculosis Strain S7, Isolated from a Patient with Pulmonary Tuberculosis. Microbiology resource announcements 9(2020).
- Jakeer, S. et al. Metagenomic analysis of the fecal microbiome of an adult elephant reveals the diversity of CAZymes related to lignocellulosic biomass degradation. Symbiosis (2020).
- Jade, D.D., Pandey, R., Kumar, R. & Gupta, D. Ligand-based pharmacophore modeling of TNF-α to design novel inhibitors using virtual screening and molecular dynamics. Journal of Biomolecular Structure and Dynamics, 1-17 (2020).
- Guttery, D.S. et al. Plasmodium DEH is ER-localized and crucial for oocyst mitotic division during malaria transmission. Life Science Alliance 3, e202000879-e202000879 (2020).
- Birla, S. et al. Classifying juvenile onset primary open angle glaucoma using cluster analysis. The British journal of ophthalmology 104, 827-835 (2020).
- Bano, S. et al. Identification and characterization of a novel isoform of heparin cofactor II in human liver. IUBMB life (2020).
- Ali, M.F., Kaushik, A., Gupta, D., Ansari, S. & Jairajpuri, M.A. Changes in strand 6B and helix B during neuroserpin inhibition: Implication in severity of clinical phenotype. Biochimica et biophysica acta. Proteins and proteomics 1868, 140363-140363 (202
- Ahamad, S., Kanipakam, H. & Gupta, D. Insights into the structural and dynamical changes of spike glycoprotein mutations associated with SARS-CoV-2 host receptor binding. Journal of biomolecular structure & dynamics, 1-13 (2020).
- Ahamad, S., Gupta, D. & Kumar, V. Targeting SARS-CoV-2 nucleocapsid oligomerization: Insights from molecular docking and molecular dynamics simulations. Journal of Biomolecular Structure and Dynamics, 1-14 (2020).
- Shinkafi, T.S. et al. Computational prediction and experimental validation of the activator function of C2-beta-D-glucopyranosyl-1,3,6,7-tetrahydroxyxanthone on pancreatic and hepatic hexokinase. Journal of biomolecular structure & dynamics, 1-12 (2019).
- Satish, D., Mukherjee, S.K. & Gupta, D. PAmiRDB: A web resource for plant miRNAs targeting viruses. Sci Rep 9, 4627 (2019).
- Sardar, R. et al. ApicoTFdb: the comprehensive web repository of apicomplexan transcription factors and transcription-associated co-factors. Database : the journal of biological databases and curation 2019(2019).
- Kumar, R., Jade, D. & Gupta, D. A novel identification approach for discovery of 5-HydroxyTriptamine 2A antagonists: combination of 2D/3D similarity screening, molecular docking and molecular dynamics. Journal of biomolecular structure & dynamics 37, 931-
- Kibria, K.M.K. et al. A genome-wide analysis of coatomer protein (COP) subunits of apicomplexan parasites and their evolutionary relationships. BMC genomics 20, 98-98 (2019).
- Haque, S. et al. S.Typhi derived OmpC peptide conjugated with Vi-polysaccharide evokes better immune response than free Vi-polysaccharide in mice. Biologicals : journal of the International Association of Biological Standardization 62, 50-56 (2019).
- Gupta, D. & Mukherjee, S.K. Antiviral RNAi mediated Plant defense versus its suppression by viruses. Journal of plant science and phytopathology 3, 8-8 (2019).
- Verma, D.K., Gupta, D. & Lal, S.K. Host Lipid Rafts Play a Major Role in Binding and Endocytosis of Influenza A Virus. Viruses 10(2018).
- Sharma, S. et al. Biochemical characterization of Plasmodium complement factors binding protein for its role in immune modulation. The Biochemical journal 475, 2877-2891 (2018).
- Sharma, C. et al. Investigation of Multiple Resistance Mechanisms in Voriconazole-Resistant Aspergillus flavus Clinical Isolates from a Chest Hospital Surveillance in Delhi, India. Antimicrobial agents and chemotherapy 62(2018).
- Shakeel, T. et al. A consensus-guided approach yields a heat-stable alkane-producing enzyme and identifies residues promoting thermostability. The Journal of biological chemistry 293, 9148-9161 (2018).
- Pandey, R. et al. High throughput in silico identification and characterization of Plasmodium falciparum PRL phosphatase inhibitors. Journal of biomolecular structure & dynamics 36, 3531-3540 (2018).
- Gupta, V. et al. Role of CYP1B1, p.E229K and p.R368H mutations among 120 families with sporadic juvenile onset open-angle glaucoma. Graefe’s archive for clinical and experimental ophthalmology = Albrecht von Graefes Archiv fur klinische und experimentelle
- Zeeshan, M. et al. Proteomic Identification and Analysis of Arginine-Methylated Proteins of Plasmodium falciparum at Asexual Blood Stages. Journal of proteome research 16, 368-383 (2017).
- Sanan-Mishra, N., Chakraborty, S., Gupta, D. & Mukherjee, S.K. RNAi suppressors: biology and mechanisms. 199-230 (Springer, 2017).
- Pandey, R., Kumar, P. & Gupta, D. KiPho: malaria parasite kinome and phosphatome portal. Database : the journal of biological databases and curation 2017(2017).
- Ogunmolu, F.E. et al. Comparative insights into the saccharification potentials of a relatively unexplored but robust Penicillium funiculosum glycoside hydrolase 7 cellobiohydrolase. Biotechnology for biofuels 10, 71-71 (2017).
- Kumar, P., Joy, J., Pandey, A. & Gupta, D. PRmePRed: A protein arginine methylation prediction tool. PloS one 12, e0183318-e0183318 (2017).
- Kaushik, A., Ali, S. & Gupta, D. Altered Pathway Analyzer: A gene expression dataset analysis tool for identification and prioritization of differentially regulated and network rewired pathways. Scientific reports 7, 40450-40450 (2017).
- Gupta, P. et al. Exploring Heme and Hemoglobin Binding Regions of Plasmodium Heme Detoxification Protein for New Antimalarial Discovery. Journal of medicinal chemistry 60, 8298-8308 (2017).
- Ghosh, S. et al. An RNAi-based high-throughput screening assay to identify small molecule inhibitors of hepatitis B virus replication. The Journal of biological chemistry 292, 12577-12588 (2017).
- Ali, M.F., Kaushik, A., Kapil, C., Gupta, D. & Jairajpuri, M.A. A hydrophobic patch surrounding Trp154 in human neuroserpin controls the helix F dynamics with implications in inhibition and aggregation. Scientific reports 7, 42987-42987 (2017).
- Kumar, R. & Gupta, D. Identification of CYP1B1-specific candidate inhibitors using combination of in silico screening, integrated knowledge-based filtering, and molecular dynamics simulations. Chemical Biology and Drug Design (2016).
- Kaur, I. et al. Widespread occurrence of lysine methylation in Plasmodium falciparum proteins at asexual blood stages. Scientific Reports 6(2016).
- Tajedin, L., Anwar, M., Gupta, D. & Tuteja, R. Comparative insight into nucleotide excision repair components of Plasmodium falciparum. DNA Repair 28(2015).
- Saraf, S. et al. 3′ and 5′ microRNA-end post-biogenesis modifications in plant transcriptomes: Evidences from small RNA next generation sequencing data analysis. Biochemical and Biophysical Research Communications 467(2015).
- Kaushik, A., Saraf, S., Mukherjee, S.K. & Gupta, D. miRMOD: A tool for identification and analysis of 5′ and 3′ miRNA modifications in Next Generation Sequencing small RNA data. PeerJ 2015(2015).
- Kaushik, A., Bhatia, Y., Ali, S. & Gupta, D. Gene network rewiring to study melanoma stage progression and elements essential for driving melanoma. PLoS ONE 10(2015).
- Jagga, Z. & Gupta, D. Machine learning for biomarker identification in cancer research developments toward its clinical application. Personalized Medicine 12(2015).
- Rastogi, A. & Gupta, D. GFF-Ex: A genome feature extraction package. BMC Research Notes 7(2014).
- Pandey, R. et al. Genome wide in silico analysis of Plasmodium falciparum phosphatome. BMC Genomics 15, 1024-1024 (2014).
- Mehrotra, S., Chugh, M., Singh, P.K., Gupta, D. & Malhotra, P. mRNA Splicing and Alternative Splicing BT – Encyclopedia of Malaria. (eds. Kremsner, P.G. & Krishna, S.) 1-13 (Springer New York, New York, NY, 2014).
- Mastan, B.S., Kumari, A., Gupta, D., Mishra, S. & Kumar, K.A. Gene disruption reveals a dispensable role for Plasmepsin VII in the Plasmodium berghei life cycle. Molecular and Biochemical Parasitology 195(2014).
- Kaushik, A., Subramaniam, S. & Gupta, D. In silico characterization and molecular dynamics simulation of Pfcyc-1, a cyclin homolog of Plasmodium falciparum. Journal of Biomolecular Structure and Dynamics 32(2014).
- Kaur, R., Sharma, A., Gupta, D., Kalita, M. & Bhatnagar K, R. Bacillus thuringiensis Toxin, Cry1C interacts with 128HLHFHLP134 region of Aminopeptidase N of Agricultural Pest, Spodoptera litura. Process Biochemistry 49, 688-688 (2014).
- Jagga, Z. & Gupta, D. Supervised learning classification models for prediction of plant virus encoded RNA silencing suppressors. PLoS ONE 9(2014).
- Jagga, Z. & Gupta, D. Classification models for clear cell renal carcinoma stage progression, based on tumor RNAseq expression trained supervised machine learning algorithms. BMC Proc 8, S2-S2 (2014).
- Jackson, A.P. et al. The evolutionary dynamics of variant antigen genes in Babesia reveal a history of genomic innovation underlying host-parasite interaction. Nucleic Acids Research 42(2014).
- Kaushik, A. & Gupta, D. Protein folding grand challenge: Hydrophobic vs. hydrophilic forces. Journal of Biomolecular Structure and Dynamics 31(2013).
- Subramaniam, S., Mehrotra, M. & Gupta, D. Development of target focused library against drug target of P. falciparumusing SVM and Molecular docking. Journal of Cheminformatics 4, P48-P48 (2012).
- Nanni, L., Lumini, A., Gupta, D. & Garg, A. Identifying bacterial virulent proteins by fusing a set of classifiers based on variants of Chou’s Pseudo amino acid composition and on evolutionary information. IEEE/ACM Transactions on Computational Biology an
- Joshi, P.K. et al. Identification of mirtrons in rice using MirtronPred: A tool for predicting plant mirtrons. Genomics 99(2012).
- Gupta, S. et al. Molecular cloning and characterization of chikungunya virus genes from indian isolate of 2006 Outbreak. Journal of Pharmacy Research 5(2012).
- Subramaniam, S., Monica, M. & Gupta, D. Support Vector Machine Based Classification Model for Screening Plasmodium falciparum Proliferation Inhibitors and Non-Inhibitors. Biomedical Engineering and Computational Biology 3(2011).
- Subramaniam, S., Mehrotra, M. & Gupta, D. Support vector machine based prediction of P. falciparum proteasome inhibitors and development of focused library by molecular docking. Combinatorial Chemistry and High Throughput Screening 14(2011).
- Rathore, S. et al. Disruption of a mitochondrial protease machinery in Plasmodium falciparum is an intrinsic signal for parasite cell death. Cell Death and Disease 2(2011).
- Gupta, D. & Tuteja, N. Chaperones and foldases in endoplasmic reticulum stress signaling in plants. Plant Signaling and Behavior 6(2011).
- Rathore, S. et al. A cyanobacterial serine protease of Plasmodium falciparum is targeted to the apicoplast and plays an important role in its growth and development. Molecular Microbiology 77(2010).
- Rao, J.L. et al. Thermo and pH stable ATP-independent chaperone activity of heat-inducible Hsp70 from Pennisetum glaucum. Plant Signal Behav 5, 110-121 (2010).
- Ramana, J. & Gupta, D. Machine learning methods for prediction of CDK-inhibitors. PLoS ONE 5(2010).
- Ramana, J. & Gupta, D. FaaPred: A SVM-based prediction method for fungal adhesins and adhesin-like proteins. PLoS ONE 5(2010).
- Subramaniam, S., Mohmmed, A. & Gupta, D. Molecular modeling studies of the interaction between Plasmodium falciparum HslU and HslV subunits. Journal of Biomolecular Structure and Dynamics 26(2009).
- Ramana, J. & Gupta, D. ProtVirDB: A database of protozoan virulent proteins. Bioinformatics 25(2009).
- Ramana, J. & Gupta, D. LipocalinPred: A SVM-based method for prediction of lipocalins. BMC Bioinformatics 10(2009).
- Gangwar, D., Kalita, M.K., Gupta, D., Chauhan, V.S. & Mohmmed, A. A systematic classification of Plasmodium falciparum P-loop NTPases: Structural and functional correlation. Malaria Journal 8(2009).
- Subramaniam, S., Mehrotra, M. & Gupta, D. Virtual high throughput screening (vHTS)–a perspective. Bioinformation 3, 14-17 (2008).
- Kalita, M.K. et al. CyclinPred: A SVM-based method for predicting cyclin protein sequences. PLoS ONE 3(2008).
- Garg, A. & Gupta, D. VirulentPred: A SVM based prediction method for virulent proteins in bacterial pathogens. BMC Bioinformatics 9(2008).
- Ramasamy, G., Gupta, D., Mohmmed, A. & Chauhan, V.S. Characterization and localization of Plasmodium falciparum homolog of prokaryotic ClpQ/HslV protease. Molecular and Biochemical Parasitology 152(2007).
- Kalita, M.K., Ramasamy, G., Duraisamy, S., Chauhan, V.S. & Gupta, D. ProtRepeatsDB: A database of amino acid repeats in genomes. BMC Bioinformatics 7(2006).
- Gowthaman, R., Sekhar, D., Kalita, M.K. & Gupta, D. A database for Plasmodium falciparum protein models. Bioinformation 1, 50-51 (2005).
- Singh N, A., Gupta, D. & Jameel, S. Bioinformatic analysis of the SARS virus X1 protein shows it to be a calcium-binding protein. Current Science 86, 842-842 (2004).
- Ravi Chandra, B., Gowthaman, R., Raj Akhouri, R., Gupta, D. & Sharma, A. Distribution of proline-rich (PxxP) motifs in distinct proteomes: functional and therapeutic implications for malaria and tuberculosis. Protein Eng Des Sel 17, 175-182 (2004).
- Bahl, A. et al. PlasmoDB: The Plasmodium genome resource. A database integrating experimental and computational data. Nucleic Acids Research 31(2003).
- Kissinger, J.C. et al. The Plasmodium genome database. Nature 419(2002).
- Bahl, A. et al. PlasmoDB: The Plasmodium genome resource. An integrated database providing tools for accessing, analyzing and mapping expression and sequence data (both finished and unfinished). Nucleic Acids Research 30(2002).
- Pant, V. et al. Molecular characterization of the Rep protein of the blackgram isolate of Indian mungbean yellow mosaic virus. J Gen Virol 82, 2559-2567 (2001).
- Korkaya, H. et al. The ORF3 protein of hepatitis E virus binds to Src homology 3 domains and activates MAPK. J Biol Chem 276, 42389-42400 (2001).
- Agrawal, S., Gupta, D. & Panda, S.K. The 3′ end of hepatitis E virus (HEV) genome binds specifically to the viral RNA-dependent RNA polymerase (RdRp). Virology 282, 87-101 (2001).
- Ansari, I.H. et al. Cloning, sequencing, and expression of the hepatitis E virus (HEV) nonstructural open reading frame 1 (ORF1). Journal of medical virology 60, 275-283 (2000).
- Kothekar, V., Ashish, Gupta, D. & Kishore, R. Theoretical study of conformational flexibility of tuftsin in vacuum and in aqueous environment. Indian journal of biochemistry & biophysics 36, 14-28 (1999).
- Kothekar, V. & Gupta, D. Conformational flexibility of voltage gated dihydropyridine sensitive calcium channel in hydrated DMPC bilayer. Indian J Biochem Biophys 35, 273-283 (1998).
- Gupta, D. & Kothekar, V. Molecular dynamics simulation of the interaction of nifedipine and its meta and para NO2 analogs with a hydrated dimyristoyl-sn-glycero-3-phosphorylcholine (DMPC) bilayer. Journal of Molecular Structure: THEOCHEM 431, 17-31 (1998)
- Gupta, D. & Kothekar, V. 500 picosecond molecular dynamics simulation of amphiphilic polypeptide Ac(LKKL)4 NHEt with 1,2 di-mysristoyl-sn-glycero-3-phosphorylcholine (DMPC) molecules. Indian J Biochem Biophys 34, 501-511 (1997).
- Gupta, D. & Kothekar, V. Conformation of nifedipine in hydrated 1,2-di-myristoyl-sn-glycero-3-phosphorylcholine bilayer molecular dynamics simulation. Journal of Biosciences 22, 177-177 (1997).
- Kothekar, V., Mahajan, K., Raha, K. & Gupta, D. Molecular dynamics simulation of conformational flexibility of alamethicin fragments in aqueous and membranous environment. J Biomol Struct Dyn 14, 303-316 (1996).
- Kothekar, V. & Gupta, D. 200 picosecond molecular dynamics simulation of interaction of nifedipine with 1-2 dimyristoyl phosphatidylcholine membrane. Indian Journal of Biochemistry and Biophysics 31, 24-30 (1994).
- Kothekar, V. & Gupta, D. Molecular Mechanics Simulation of Ligand Induced Structural Changes in Biological Membrane. Int. J. Toxicol. Occup. Environ. Hlth. 1, 1-1 (1992).