S.No.	Authors	Title	Journal	Volume	Pages	Year
1	#Khan, Jiyauddin#Bareja, Chanchal#Dwivedi, Kountay#Mathur, Ankit#Kumar, Naveen#Saluja, Daman	Identification and validation of a metabolic-related gene risk model predicting the prognosis of lung, colon, and breast cancers	Scientific reports	15	1374	2025
2	#Kaur, Divpreet#Chopra, Madhu#Saluja, Daman	Exploiting the Achilles’ heel of cancer through a structure-based drug-repurposing approach and experimental validation of top drugs using the TRAP assay	Molecular Diversity			2025
3	#Kant, Ravi#Prajapati, Megha#Das, Pradip#Kanaras, Antonios G.#Saluja, Daman#Christodoulides, Myron#Ravi Kant, Chhaya	Computational and Experimental Study of Metal-Organic Frameworks (MOFs) as Antimicrobial Agents against Neisseria gonorrhoeae	ACS Applied Materials and Interfaces			2025
4	#nee Shelly Aggarwal, Shelly Singhal#Kaur, Divpreet#Saluja, Daman#Srivastava, Kamna	Repurposed drugs as PCSK9-LDLR disruptors for lipid lowering and cardiovascular disease therapeutics	Molecular Diversity			2024
5	#Khan, Jiyauddin#Ghosh, Priyanjana#Bajpai, Urmi#Dwivedi, Kountay#Saluja, Daman	Integrated analysis of cell cycle and p53 signaling pathways related genes in breast, colorectal, lung, and pancreatic cancers: implications for prognosis and drug sensitivity for therapeutic potential	Discover Oncology	15		2024
6	#Kaur, Divpreet#Saluja, Daman#Chopra, Madhu	Identification of novel inhibitors of cancer target telomerase using a dual structure-based pharmacophore approach to virtually screen libraries, molecular docking and validation by molecular dynamics simulations	Journal of Biomolecular Structure and Dynamics			2024
7	#Jha, Prakash#Rajoria, Prerna#Poonia, Priya#Chopra, Madhu	Identification of novel PAD2 inhibitors using pharmacophore-based virtual screening, molecular docking, and MD simulation studies	Scientific Reports	14		2024
8	#Manocha, Nilanshu#Jha, Prakash#Kumar, Prashant#Khanna, Madhu#Chopra, Madhu#Pai, Somnath S.	Immunoinformatic approach to design T cell epitope-based chimeric vaccine targeting multiple serotypes of dengue virus	Journal of Biomolecular Structure and Dynamics		1	2024
9	#Teotia, Vineeta#Jha, Prakash#Chopra, Madhu	Discovery of Potential Inhibitors of CDK1 by Integrating Pharmacophore-Based Virtual Screening, Molecular Docking, Molecular Dynamics Simulation Studies, and Evaluation of Their Inhibitory Activity	ACS Omega			2024
10	#Kant, Ravi#Khan, Mohd Shoaib#Chopra, Madhu#Saluja, Daman	Artificial intelligence-driven reverse vaccinology for Neisseria gonorrhoeae vaccine: Prioritizing epitope-based candidates	Frontiers in Molecular Biosciences	11		2024
11	#Sharma, Sakshi#Mittal, Manasi#Shukla, Akanksha#Khan, Jiyauddin#Dinand, Veronique#Saluja, Daman	Exploring serine-arginine rich splicing factors: potential predictive markers for dysregulation in oral cancer	BMC Cancer	24		2024
12	#Konwar, Chandrika#Maini, Jayant#Saluja, Daman	Understanding Longevity: SIN-3 and DAF-16 Revealed as Independent Players in Lifespan Regulation	Journals of Gerontology - Series A Biological Sciences and Medical Sciences	79		2024
13	#Kant, Ravi#Jha, Prakash#Saluja, Daman#Chopra, Madhu	Identification of novel inhibitors of Neisseria gonorrhoeae MurI using homology modeling, structure-based pharmacophore, molecular docking, and molecular dynamics simulation-based approach	Journal of Biomolecular Structure and Dynamics	41	7433	2023
14	#Poonia, Priya#Sharma, Monika#Jha, Prakash#Chopra, Madhu	Pharmacophore-based virtual screening of ZINC database, molecular modeling and designing new derivatives as potential HDAC6 inhibitors	Molecular Diversity	27	2053	2023
15	#Jha, Prakash#Saluja, Daman#Chopra, Madhu	Structure-guided pharmacophore based virtual screening, docking, and molecular dynamics to discover repurposed drugs as novel inhibitors against endoribonuclease Nsp15 of SARS-CoV-2	Journal of Biomolecular Structure and Dynamics	41	5096	2023
16	#Singh, Prithvi#Mohsin, Mohd#Sultan, Armiya#Jha, Prakash#Khan, Mohd Mabood#Syed, Mansoor Ali#Chopra, Madhu#Serajuddin, Mohammad#Rahmani, Arshad Husain#Almatroodi, Saleh A.#Alrumaihi, Faris#Dohare, Ravins	Combined Multiomics and In Silico Approach Uncovers PRKAR1A as a Putative Therapeutic Target in Multi-Organ Dysfunction Syndrome	ACS Omega	8	9555	2023
17	#Khan, Mohd Junaid#Singh, Prithvi#Jha, Prakash#Nayek, Arnab#Malik, Md Zubbair#Bagler, Ganesh#Kumar, Bhupender#Ponnusamy, Kalaiarasan#Ali, Shakir#Chopra, Madhu#Dohare, Ravins#Singh, Indrakant Kumar#Syed, Mansoor Ali	Investigating the link between miR-34a-5p and TLR6 signaling in sepsis-induced ARDS	3 Biotech	13		2023
18	#Pasrija, Purvashi#Jha, Prakash#Upadhyaya, Pruthvi#Khan, Mohd. Shoaib#Chopra, Madhu	Machine Learning and Artificial Intelligence: A Paradigm Shift in Big Data-Driven Drug Design and Discovery	Current Topics in Medicinal Chemistry	22	1692	2022
19	#Jha, Prakash#Singh, Prithvi#Arora, Shweta#Sultan, Armiya#Nayek, Arnab#Ponnusamy, Kalaiarasan#Syed, Mansoor Ali#Dohare, Ravins#Chopra, Madhu	Integrative multiomics and in silico analysis revealed the role of ARHGEF1 and its screened antagonist in mild and severe COVID-19 patients	Journal of Cellular Biochemistry	123	673	2022
20	#Pawar, Alka#Jha, Prakash#Chopra, Madhu#Chaudhry, Uma#Saluja, Daman	Screening of natural compounds that targets glutamate racemase of Mycobacterium tuberculosis reveals the anti-tubercular potential of flavonoids	Scientific Reports	10		2020
21	#Jha, P.#Chopra, M.	COMBINATION OF LIGAND-BASED PHARMACOPHORE MODELLING, MOLECULAR DYNAMICS, AND DEEP LEARNING APPROACH TO IDENTIFY SELECTIVE PANK INHIBITORS AS ANTITUBERCULAR AGENTS.	International Journal of Infectious Diseases	130	S6	2023