S.No.	Authors	Title	Journal	Volume	Pages	Year
1	#Lokhande, Kiran Bharat#Pawar, Sarika Vishnu#Madkaiker, Smriti#Shrivastava, Ashish#Venkateswara, Swamy K#Nawani, Neelu#Wani, Minal#Ghosh, Payel#Singh, Ashutosh	Screening of potential phytomolecules against MurG as drug target in	J. Biomol. Struct. Dyn.	42	495-508	2024
2	#Jani, Vinod#Sonavane, Uddhavesh#Sawant, Sangeeta	Structural insights into the activation mechanism of phosphoinositide	Comput. Biol. Chem.	108	107994	2024
3	#Ballav, Sangeeta#Lokhande, Kiran Bharat#Yadav, Rohit Singh#Ghosh, Payel#Swamy, K V#Basu, Soumya	Exploring binding mode assessment of novel kaempferol, resveratrol, and	Mol. Divers.	27	2867-2885	2023
4	#Lin, Sheng-Jia#Vona, Barbara#Lau, Tracy#Huang, Kevin#Zaki, Maha S#Aldeen, Huda Shujaa#Karimiani, Ehsan Ghayoor#Rocca, Clarissa#Noureldeen, Mahmoud M#Saad, Ahmed K#Petree, Cassidy#Bartolomaeus, Tobias#Abou Jamra, Rami#Zifarelli, Giovanni#Gotkhindikar, Aditi#Wentzensen, Ingrid M#Liao, Mingjuan#Cork, Emalyn Elise#Varshney, Pratishtha#Hashemi, Narges#Mohammadi, Mohammad Hasan#Rad, Aboulfazl#Neira, Juanita#Toosi, Mehran Beiraghi#Knopp, Cordula#Kurth, Ingo#Challman, Thomas D#Smith, Rebecca#Abdalla, Asmahan#Haaf, Thomas#Suri, Mohnish#Joshi, Manali#Chung, Wendy K#Moreno-De-Luca, Andres#Houlden, Henry#Maroofian, Reza#Varshney, Gaurav K	Evaluating the association of biallelic OGDHL variants with significant	Genome Med.	15	102	2023
5	#Vaidya, Sunil R#Kumbhar, Neelakshi S#Andhare, Gargi K#Pawar, Nilesh#Walimbe, Atul M#Kinikar, Meenal#Kasibhatla, Sunitha M#Kulkarni-Kale, Urmila	Neutralizing antibody response to genotypically diverse measles viruses in	Viruses	15	2243	2023
6	#Doiphode, Sayali#Lokhande, Kiran Bharat#Ghosh, Payel#Swamy, K V#Nagar, Shuchi	Dual inhibition of cyclooxygenase-2 (COX-2) and 5-lipoxygenase (5-LOX) by	J. Biomol. Struct. Dyn.	41	8571-8586	2023
7	#Sawant, Pradeep#Kulkarni, Abhijeet#Mane, Rajkumar#Patil, Renu#Lavania, Mallika	N/A	Front. Cell. Infect. Microbiol.	13	1258660	2023
8	#Gedam, Pranjali A#Khandagale, Kiran#Shirsat, Dhananjay#Thangasamy, A#Kulkarni, Onkar#Kulkarni, Abhijeet#Patil, Swaranjali S#Barvkar, Vitthal T#Mahajan, Vijay#Gupta, Amar Jeet#Bhagat, Kiran P#Khade, Yogesh P#Singh, Major#Gawande, Suresh	Elucidating the molecular responses to waterlogging stress in onion	Front. Plant Sci.	14	1150909	2023
9	#Patil, Avinash M#Lagad, Priyanka M#Soge, Bhavana#Meshram, Rohan#Lokhande, Mahendra N#Lokhande, Pradeep D	Ammonium chloride mediated synthesis of 2-aryl-phthalazinone from O-formyl	ARKIVOC	2023		2023
10	#Kamble, Swapnil C#Ghosh, Payel	Defining omics-based biomarker signatures of metabolic	Curr. Opin. Biomed. Eng.	30	100534	2024
11	#Singh, Sweta#Ghosh, Payel#Sharma, Shilpy#Bhargava, Shobha#Kumar, Ameeta Ravi	Tetrahydropalmatine from medicinal plants activates human glucokinase to	Biotechnol. Appl. Biochem.	71	295-313	2024
12	#Nikte, Siddhanta V#Joshi, Manali#Sengupta, Durba	State-dependent dynamics of extramembrane domains in the β2 -adrenergic	Proteins	92	317-328	2024
13	#Bose, Ganesh Suraj#Kalakoti, Garima#Kulkarni, Abhijeet P#Mittal, Smriti	N/A	J. Cell. Biochem.			2024
14	#Gire, Dhananjay#Inamdar, Shrirang#Acharya, Jhankar#Sadawarte, Sharwari#Kulkarni, Abhijeet#Ghaskadbi, Saroj	Dynamic changes in the gene expression during adipogenesis in hMSCs	Gene Rep.	34	101860	2024
15	#Limaye, Sanket#Shelke, Anant#Kale, Mohan M#Kulkarni-Kale, Urmila#Kuchipudi, Suresh V	IDV Typer: An automated tool for lineage typing of influenza D viruses	Viruses	16	373	2024
16	#Shaikh, Samin A#Labhade, Shivaji R#Kale, Raju R#Pachorkar, Prajakta Y#Meshram, Rohan J#Jain, Kamlesh S#Labhade, Hrishikesh S#Boraste, Deepak R#More, Rahul A#Chobe, Santosh S#Ballabh, Debopriya#Wakchaure, Satish N	Synthesis, Biological and Molecular Docking Studies of	Chem. Biodivers.	21	e202400496	2024
17	#Saxena, Amit#Saxena, Smita	Pancreatic cancer data classification with quantum machine learning	Journal of Quantum Computing	5	1-13	2023
18	#Meshram, Rohan#Kolte, Baban#Gacche, Rajesh	Reverse vaccinology approach for identification of epitopes from E1	Vaccine			2024
19	#Shaikh, Samin A#Labhade, Shivaji R#Kale, Raju R#Pachorkar, Prajakta Y#Meshram, Rohan J#Jain, Kamlesh S#Labhade, Hrishikesh S#Boraste, Deepak R#More, Rahul A#Chobe, Santosh S#Ballabh, Debopriya#Wakchaure, Satish N	Synthesis, Biological and Molecular Docking Studies of	Chem. Biodivers.	21	e202400496	2024
20	#Dahiwade, Mandakini#Vyawahare, Nikita#Garade, Prachi#Marathe, Aniket#Meshram, Rohan#Suryawanshi, Manjusha#Palake, Ashwini#Kodam, Kisan#Ottoor, Divya	Biological activity and biomolecule interaction of pyridyl thiazole	J. Mol. Liq.	404	124936	2024
21	#Meshram, Rohan#Kolte, Baban#Gacche, Rajesh	Reverse vaccinology approach for identification of epitopes from E1	Vaccine			2024
22	#Shaikh, Samin A#Labhade, Shivaji R#Kale, Raju R#Pachorkar, Prajakta Y#Meshram, Rohan J#Jain, Kamlesh S#Labhade, Hrishikesh S#Boraste, Deepak R#More, Rahul A#Chobe, Santosh S#Ballabh, Debopriya#Wakchaure, Satish N	Synthesis, Biological and Molecular Docking Studies of	Chem. Biodivers.	21	e202400496	2024
23	#Karbhal, Rajiv#Sawant, Sangeeta#Kulkarni-Kale, Urmila	iCEED: Integrated customized extraction of enzyme data	Journal of bioinformatics and computational biology	22	2450005	2024
24	#Joshi, Rekha#Gaikwad, Harsh#Soge, Bhavana#Alshammari, Abdulrahman#Albekairi, Norah A#Kabra, Atul#Yashwante, Usha#Kolte, Baban#Lokhande, Pradip#Meshram, Rohan J	Exploring pyrazolines as potential inhibitors of NSP3-macrodomain of	Scientific reports	15		2025
25	#Kumar, C M Santosh#Mai, Aisha M#Mande, Shekhar C#Lund, Peter A	Genetic and structural insights into the functional importance of the	Communications biology	8	555	2025
26	#Chatterjee, Bithika#Mande, Shekhar C	Demography, sanitation and previous disease prevalence associate with	Scientific reports	15	10270	2025
27	#Jani, Vinod#Sonavane, Uddhavesh#Sawant, Sangeeta	Understanding the conformational dynamics of PI3Kα due to helical domain	Molecular diversity			2025
28	#Dasgupta, Anindita#Tripathi, Anjali#Mitra, Alapani#Ghosh, Payel#Santra, Manas Kumar#Mitra, Debashis	Human microRNA miR-197-3p positively regulates HIV-1 virion infectivity	The journal of biological chemistry	301	108198	2025
29	#Gotkhindikar, Aditi#Chakravorty, David#Sengupta, Durba#Joshi, Manali#Assmann, Sarah M	Is GCR1 the GPR157 of plants?	Plant physiology	197		2025
30	#Ballabh, Debopriya#Shaikh, Samin#More, Rahul A#Meshram, Rohan J	Dynamics, mechanistic and energetic evaluation of thiazole-thiadiazole	International journal of biological macromolecules	289	138839	2025
31	#Joshi, Rekha#Gaikwad, Harsh#Soge, Bhavana#Alshammari, Abdulrahman#Albekairi, Norah A#Kabra, Atul#Yashwante, Usha#Kolte, Baban#Lokhande, Pradip#Meshram, Rohan J	Exploring pyrazolines as potential inhibitors of NSP3-macrodomain of	Scientific reports	15		2025
32	#Bose, Ganesh Suraj#Jindal, Shruti#Landage, Kiran Gautam#Jindal, Aarzoo#Mahale, Monali Prakash#Kulkarni, Abhijeet P#Mittal, Smriti	SMAR1 and p53-regulated lncRNA RP11-431M3.1 enhances HIF1A translation via	The FEBS journal	291	4696-4713	2024
33	#Yadav, Lumbini R#Sharma, Vasudha#Shanmugam, Maheswaran#Mande, Shekhar C	Structural insights into the initiation of free radical formation in the	Current research in structural biology	8	100157	2024
34	#Mande, Shekhar C#Singh, Tej P	Rajagopala Chidambaram (1936-2025)	Acta crystallographica. Section A, Foundations and advances			2025
35	#Ballabh, D#Shaikh, S#More, R A#Meshram, R J	Dynamics, mechanistic and energetic evaluation of thiazole-thiadiazole	Int J Biol Macromol	289		2025
36	#Shaikh, S A#Labhade, S R#Kale, R R#Pachorkar, P Y#Meshram, R J#Jain, K S#Labhade, H S#Bhanushali, D D#More, R A#Nerkar, C K#Chobe, S S	Thiadiazole-thiazole derivatives as potent anti-tubercular agents:	European Journal of Medicinal Chemistry Reports	12		2024
37	#Hublikar, M#Kadu, V#Edake, N#Raut, D#Shirame, S#Ahmed, M Z#Makam, P#Ahmad, M S#Meshram, R J#Bhosale, R	Synthesis, Anti-Cancer, Anti-Inflammatory and In Silico Studies of	Chemistry & Biodiversity	21		2024
38	#Shaikh, Samin A#Labhade, Shivaji R#Kale, Raju R#Pachorkar, Prajakta Y#Meshram, Rohan J#Jain, Kamlesh S#Labhade, Hrishikesh S#Boraste, Deepak R#More, Rahul A#Chobe, Santosh S#Ballabh, Debopriya#Wakchaure, Satish N	Synthesis, Biological and Molecular Docking Studies of	Chemistry & biodiversity	21	e202400496	2024
39	#Lokhande, Kiran Bharat#Pawar, Sarika Vishnu#Madkaiker, Smriti#Shrivastava, Ashish#Venkateswara, Swamy K#Nawani, Neelu#Wani, Minal#Ghosh, Payel#Singh, Ashutosh	Screening of potential phytomolecules against MurG as drug target in	J. Biomol. Struct. Dyn.		1-14	2023
40	#Chand, Kailash#Barman, Muneesh Kumar#Ghosh, Payel#Mitra, Debashis	DNAJB8 facilitates autophagic-lysosomal degradation of viral Vif protein	FASEB J.	37	e22793	2023
41	#Ballav, Sangeeta#Lokhande, Kiran Bharat#Yadav, Rohit Singh#Ghosh, Payel#Swamy, K V#Basu, Soumya	Exploring binding mode assessment of novel kaempferol, resveratrol, and	Mol. Divers.			2022
42	#Doiphode, Sayali#Lokhande, Kiran Bharat#Ghosh, Payel#Swamy, K V#Nagar, Shuchi	Dual inhibition of cyclooxygenase-2 (COX-2) and 5-lipoxygenase (5-LOX) by	J. Biomol. Struct. Dyn.		1-16	2022
43	#Lokhande, Kiran Bharat#Pawar, Sarika Vishnu#Madkaiker, Smriti#Nawani, Neelu#Venkateswara, Swamy K#Ghosh, Payel	High throughput virtual screening and molecular dynamics simulation	J. Biomol. Struct. Dyn.	41	2698-2712	2023
44	#Lokhande, Kiran Bharat#Ghosh, Payel#Nagar, Shuchi#Venkateswara Swamy, K	Novel B, C-ring truncated deguelin derivatives reveals as potential	Mol. Divers.	26	2295-2309	2022
45	#Sawant, Ajay S.#Kamble, Sonali S.#Pisal, Parshuram M.#Sawant, Sanjay S.#Hese, Shrikant V.#Bagul, Kamini T#Pinjari, Rahul V.#Kamble, Vinod T.#Meshram, Rohan J.#Gacche, Rajesh N.	Synthesis and evaluation of N-(4-(substituted)-3-(trifluoromethyl) phenyl) isobutyramides and their N-ethyl analogous as anticancer, anti-angiogenic & antioxidant agents: In vitro and in silico analysis	Computational Biology and Chemistry	92	107484	2021
46	#Lodha, Kamlesh K.#Wavhal, Deepak S.#Bhalekar, Sujit B.#Meshram, Rohan J.#Shinde, Vaishali S.	Exploring New Tetrahydrothienopyridine Derivatives as Platelet Agglutination Inhibitors: Synthesis, Biological Evaluation and In Silico Study	ChemistrySelect	7	e202103428	2022
47	#More, Namita A.#Jadhao, Nitin L.#Meshram, Rohan J.#Tambe, Prajakta#Salve, Rajesh A.#Sabane, Jagjivan K.#Sawant, Sanskruti N.#Gajbhiye, Virendra#Gajbhiye, Jayant M.	Novel 3-fluoro-4-morpholinoaniline derivatives: Synthesis and assessment of anti-cancer activity in breast cancer cells	Journal of Molecular Structure	1253	132127	2022
48	#Meshram, Rohan J.#Bagul, Kamini T.#Aouti, Snehal U.#Shirsath, Akshay M.#Duggal, Harleen#Gacche, Rajesh N.	Modeling and simulation study to identify threonine synthase as possible drug target in Leishmania major	Molecular Diversity	25	1679	2021
49	#Paithankar, Harshad#Tarang, Guneet Singh#Parvez, Firdousi#Marathe, Aniket#Joshi, Manali#Chugh, Jeetender	Inherent conformational plasticity in dsRBDs enables interaction with	Biophys. J.	121	1038-1055	2022
50	#Joshi, Manali#Nikte, Siddhanta V#Sengupta, Durba	Molecular determinants of GPCR pharmacogenetics: Deconstructing the	Adv. Protein Chem. Struct. Biol.	128	361-396	2022
51	#Kulkarni, Akshay S#Ramesh, Remya#Walia, Safal#Sayyad, Shahebaz I#Gathalkar, Ganesh B#Balamkundu, Seetharamsing#Joshi, Manali#Sen, Avalokiteswar#Reddy, D Srinivasa	Identification of a novel series of potent organosilicon mosquito	ACS Omega	6	31236-31243	2021
52	#Lin, Sheng-Jia#Vona, Barbara#Barbalho, Patricia G#Kaiyrzhanov, Rauan#Maroofian, Reza#Petree, Cassidy#Severino, Mariasavina#Stanley, Valentina#Varshney, Pratishtha#Bahena, Paulina#Alzahrani, Fatema#Alhashem, Amal#Pagnamenta, Alistair T#Aubertin, Gudrun#Estrada-Veras, Juvianee I#Hernández, Héctor Adrián Díaz#Mazaheri, Neda#Oza, Andrea#Thies, Jenny#Renaud, Deborah L#Dugad, Sanmati#McEvoy, Jennifer#Sultan, Tipu#Pais, Lynn S#Tabarki, Brahim#Villalobos-Ramirez, Daniel#Rad, Aboulfazl#Genomics England Research Consortium#Galehdari, Hamid#Ashrafzadeh, Farah#Sahebzamani, Afsaneh#Saeidi, Kolsoum#Torti, Erin#Elloumi, Houda Z#Mora, Sara#Palculict, Timothy B#Yang, Hui#Wren, Jonathan D#Ben Fowler,#Joshi, Manali#Behra, Martine#Burgess, Shawn M#Nath, Swapan K#Hanna, Michael G#Kenna, Margaret#Merritt, J Lawrence, 2nd#Houlden, Henry#Karimiani, Ehsan Ghayoor#Zaki, Maha S#Haaf, Thomas#Alkuraya, Fowzan S#Gleeson, Joseph G#Varshney, Gaurav K	Biallelic variants in KARS1 are associated with neurodevelopmental	Genet. Med.	23	1933-1943	2021
53	#Kadam, Kiran#Peerzada, Noor#Karbhal, Rajiv#Sawant, Sangeeta#Valadi, Jayaraman#Kulkarni-Kale, Urmila	Antibody class(es) predictor for epitopes (AbCPE): A multi-label	Front. Bioinform.	1	709951	2021
54	#Hufsky, Franziska#Abecasis, Ana#Agudelo-Romero, Patricia#Bletsa, Magda#Brown, Katherine#Claus, Claudia#Deinhardt-Emmer, Stefanie#Deng, Li#Friedel, Caroline C#Gismondi, María Inés#Kostaki, Evangelia Georgia#Kühnert, Denise#Kulkarni-Kale, Urmila#Metzner, Karin J#Meyer, Irmtraud M#Miozzi, Laura#Nishimura, Luca#Paraskevopoulou, Sofia#Pérez-Cataluña, Alba#Rahlff, Janina#Thomson, Emma#Tumescheit, Charlotte#van der Hoek, Lia#Van Espen, Lore#Vandamme, Anne-Mieke#Zaheri, Maryam#Zuckerman, Neta#Marz, Manja	Women in the European Virus Bioinformatics Center	Viruses	14	1522	2022
55	#Mane, Arati#Limaye, Sanket#Patil, Linata#Kulkarni-Kale, Urmila	Genetic variability in minor capsid protein (L2 gene) of human		211	153-160	2022
56	#Mane, Arati#Kasibhatla, Sunitha Manjari#Vidhate, Pallavi#Saxena, Vandana#Patil, Sandip#Rao, Amrita#Nirmalkar, Amit#Kulkarni-Kale, Urmila#Panda, Samiran	Phylogenetic analysis of spread of hepatitis C virus identified during HIV	Emerg. Infect. Dis.	28	725-733	2022
57	#Mane, Arati#Limaye, Sanket#Patil, Linata#Kulkarni-Kale, Urmila	Genetic variations in the long control region of human papillomavirus type	J. Med. Microbiol.	71		2022
58	#Gokavi, Jyotsna#Sadawarte, Sharwari#Shelke, Anant#Kulkarni-Kale, Urmila#Thakar, Madhuri#Saxena, Vandana	Inhibition of miR-155 promotes TGF-β mediated suppression of HIV release	Viruses	13	2266	2021
59	#Limaye, Sanket#Kasibhatla, Sunitha M#Ramtirthkar, Mukund#Kinikar, Meenal#Kale, Mohan M#Kulkarni-Kale, Urmila	Circulation and evolution of SARS-CoV-2 in India: Let the data speak	Viruses	13	2238	2021
60	#González-Candelas, Fernando#Shaw, Marie-Anne#Phan, Tung#Kulkarni-Kale, Urmila#Paraskevis, Dimitrios#Luciani, Fabio#Kimura, Hirokazu#Sironi, Manuela	One year into the pandemic: Short-term evolution of SARS-CoV-2 and	Infect. Genet. Evol.	92	104869	2021
61	#Sweeney, Christopher#Xie, Wanling#Regan, Meredith M#Nakabayashi, Mari#Buyse, Marc E#Clarke, Noel W#Collette, Laurence#Dignam, James J#Fizazi, Karim#Habibian, Muriel#Halabi, Susan#Kantoff, Philip W#Parulekar, Wendy R#Sandler, Howard M#Sartor, Oliver#Soule, Howard R#Sydes, Matthew Robert#Tombal, Bertrand F#Williams, Scott G#ICECaP Working Group PMID:26409187	Disease-free survival (DFS) as a surrogate for overall survival (OS) in	J. Clin. Oncol.	34	5023-5023	2016
62	#Khandagale, Kiran#Roylawar, Praveen#Kulkarni, Onkar#Khambalkar, Pravin#Ade, Avinash#Kulkarni, Abhijeet#Singh, Major#Gawande, Suresh	Comparative transcriptome analysis of onion in response to infection by	Front. Plant Sci.	13	857306	2022
63	#Yadav, Sagar#Raazi, Zarrine#Shivaraj, Sheelavanta Matha#Somani, Deepika#Prashant, Ramya#Kulkarni, Abhijeet#Kumar, Rajeev#Biradar, Suma#Desai, Shreenivas#Kadoo, Narendra	Whole genome sequencing and comparative genomics of Indian isolates of	Pathogens	12		2022