S.No.	Authors	Title	Journal	Volume	Pages	Year
1	#Yadav, Siddharth#Ahamad, Shahzaib#Gupta, Dinesh#Mathur, Puniti	Lead optimization, pharmacophore development and scaffold design of protein kinase CK2 inhibitors as potential COVID-19 therapeutics	Journal of Biomolecular Structure and Dynamics			2023
2	#Roy, Shikha#Gupta, Dinesh	DriverFuse: An R package for analysis of nextgeneration sequencing datasets to identify cancer driver fusion genes	PLoS ONE	17	1	2022
3	#Ahamad, Shahzaib#Gupta, Dinesh#Kumar, Vijay	Targeting SARS-CoV-2 nucleocapsid oligomerization: Insights from molecular docking and molecular dynamics simulations	Journal of Biomolecular Structure and Dynamics	40	2430	2022
4	#Ahamad, Shahzaib#Kanipakam, Hema#Gupta, Dinesh	Insights into the structural and dynamical changes of spike glycoprotein mutations associated with SARS-CoV-2 host receptor binding	Journal of Biomolecular Structure and Dynamics	40	263	2022
5	#Ahamad, Shahzaib#Hema, Kanipakam#Ahmad, Shahnawaz#Kumar, Vijay#Gupta, Dinesh	Insights into the structure and dynamics of SARS-CoV-2 spike glycoprotein double mutant L452R-E484Q	3 Biotech			2022
6	#Tyagi, Neetu#Sardar, Rahila#Gupta, Dinesh	Natural selection plays a significant role in governing the codon usage bias in the novel SARS-CoV-2 variants of concern (VOC)	PeerJ			2022
7	#Singh, Gagandeep#Gupta, Dinesh	In-Silico Functional Annotation of Plasmodium falciparum Hypothetical Proteins to Identify Novel Drug Targets	Frontiers in Genetics			2022
8	#Ahamad, Shahzaib#Ali, Hashim#Secco, Ilaria#Giacca, Mauro#Gupta, Dinesh	Anti-Fungal Drug Anidulafungin Inhibits SARS-CoV-2 Spike-Induced Syncytia Formation by Targeting ACE2-Spike Protein Interaction	Frontiers in Genetics			2022
9	#Thalor, Anamika#Kumar Joon, Hemant#Singh, Gagandeep#Roy, Shikha#Gupta, Dinesh	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
10	#Sardar, Rahila#Sharma, Arun#Gupta, Dinesh	Machine Learning Assisted Prediction of Prognostic Biomarkers Associated With COVID-19, Using Clinical and Proteomics Data	Frontiers in Genetics	12	1	2021
11	#Ahamad, Shahzaib#Kanipakam, Hema#Birla, Shweta#Ali, Md Shaukat#Gupta, Dinesh	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		2021
12	#Ahamad, Shahzaib#Hema, Kanipakam#Kumar, Vijay#Gupta, Dinesh	The structural, functional, and dynamic effect of Tau tubulin kinase1 upon a mutation: A neuro-degenerative hotspot	Journal of Cellular Biochemistry			2021
13	#Hema, Kanipakam#Ahamad, Shahzaib#Joon, Hemant Kumar#Pandey, Rajan#Gupta, Dinesh	Atomic resolution homology models and molecular dynamics simulations of plasmodium falciparum tubulins	ACS Omega			2021
14	#Pandey, Rajan#Gupta, Priya#Mohmmed, Asif#Malhotra, Pawan#Gupta, Dinesh	A Plasmodium falciparum protein tyrosine phosphatase inhibitor identified from the ChEMBL-NTD database blocks parasite growth	FEBS Open Bio			2021
15	#Satish, Deepshikha#Mukherjee, Sunil Kumar#Gupta, Dinesh	The landscape of microRNAs in plant viral infections	Plant Gene			2021
16	#Shehzad, Sadaf#Pandey, Rajan#Malhotra, Pawan#Gupta, Dinesh	Computational design of novel allosteric inhibitors for plasmodium falciparum degp	Molecules			2021
17	Ahamad,Shahzaib,Kanipakam,Hema,Kumar, Vijay,Gupta,Dinesh	A molecular journey to check the conformational dynamics of tau tubulin kinase 2 mutations associated with Alzheimer's disease	RSC Advances	11		2021
18	#Birla, Shweta#Varshney, Toshit#Singh, Abhishek#Sharma, Arun#Panigrahi, Arnav#Gupta, Shikha#Gupta, Dinesh#Gupta, Viney	Machine learning-assisted prediction of trabeculectomy outcomes among patients of juvenile glaucoma by using 5-year follow-up data	Indian Journal of Ophthalmology			2024
19	#Gupta, Viney#Birla, Shweta#Varshney, Toshit#Somarajan, Bindu I.#Gupta, Shikha#Gupta, Mrinalini#Panigrahi, Arnav#Singh, Abhishek#Gupta, Dinesh	In vivo identification of angle dysgenesis and its relation to genetic markers associated with glaucoma using artificial intelligence	Indian Journal of Ophthalmology	72		2024
20	#Sharma, Arun#Garg, Aarti#Ramana, Jayashree#Gupta, Dinesh	VirulentPred 2.0: An improved method for prediction of virulent proteins in bacterial pathogens	Protein Science	32		2023
21	#Joon, Hemant Kumar#Thalor, Anamika#Gupta, Dinesh	Machine learning analysis of lung squamous cell carcinoma gene expression datasets reveals novel prognostic signatures	Computers in Biology and Medicine	165		2023
22	#Tyagi, Neetu#Roy, Shikha#Vengadesan, Krishnan#Gupta, Dinesh	Multi-omics approach for identifying CNV-associated lncRNA signatures with prognostic value in prostate cancer	Non-coding RNA Research	9		2024
23	#Swain, Supriya P.#Ahamad, Shahzaib#Samarth, Nikhil#Singh, Shailza#Gupta, Dinesh#Kumar, Shailesh	In silico studies of alkaloids and their derivatives against N-acetyltransferase EIS protein from Mycobacterium tuberculosis	Journal of Biomolecular Structure and Dynamics			2023
24	#Roy, Shikha#Gupta, Dinesh	Analysis of breast cancer next-generation sequencing datasets for identifying fusion genes responsible for the cancer progression	Informatics in Medicine Unlocked	41		2023