

COMPUTATIONAL RESEARCH GROUP
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Hemant Kumar Rundla, Shivani Soni, Sunita Teli, Anu Manhas, Prakash Jha, Shikha Agarwal, & Lokesh Kumar Agarwal, Catalysis Letters 2025, 155, 243, DOI: 10.1007/s10562-025-05077-7
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Pranchal Shrivastava, Somnath Mondal, Shivani Thakur, Anu Manhas, & Rukmankesh Mehra, Chemical Research in Toxicology 2025, DOI: 10.1021/acs.chemrestox.4c00387
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Arzoo Rai, Samudro Ghosh, Siddhi Kediya, Sayan Ghosh, Anu Manhas, & Prakash Jha, Molecular Physics 2025, e2451053, DOI: 10.1080/00268976.2025.2451053
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Aher, Abhishek, Pradip Bera, Paula Brandao, Saphy Sharda, Sabyasachi Khatua, Sunil Kumar Manna, Anu Manhas, & Pulakesh Bera, International Journal of Biological Macromolecules 2025, 299, 140039, DOI: 10.1016/j.ijbiomac.2025.140039
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Sunita Teli, Shivani Soni, Pankaj Teli, Mehul Darji, Anu Manhas, & Shikha Agarwal, Catalysis Letters 2025, 155, 66, DOI: 10.1007/s10562-024-04892-8
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Nisarg Rana, Priyanka Solanki, Rukmankesh Mehra, & Anu Manhas*, Chemical Physics Impact 2025, 10, 100809, DOI: 10.1016/j.chphi.2024.100809
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Sunita Teli, Shivani Soni, Anu Manhas, Prakash Jha, Dinesh K. Agarwal, & Shikha Agarwal, Research on Chemical Intermediates 2024, DOI: 10.1007/s11164-024-05466-4
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Amar Ghosh, Suruchi Bhambri, Priyanka Solanki, Prakash Jha, & Anu Manhas*, ChemistrySelect 2024, 9, e202404073, DOI: 10.1002/slct.202404073
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Arzoo Rai, Amar Ghosh, Mohd Athar, Prakash Jha, & Anu Manhas*, Topics in Catalysis 2024, DOI: 10.1007/s11244-024-02028-1
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Priyanka Solanki, Shubhangi Sarwadia, Mohd Athar, Prakash Jha, & Anu Manhas*, Chemical Physics Impact 2024, 9, 100768 DOI: 10.1016/j.chphi.2024.100768
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Priyanka Solanki, Anu Manhas*, Dhaval Patel, & Prakash Jha, ChemistrySelect 2024, 9, e202403205, DOI: 10.1002/slct.202403205
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Nusrat Sahiba, Deepkumar Joshi, Lokesh Kumar Agarwal, Anu Manhas, Pankaj Teli, & Shikha Agarwal, Discover Chemistry 2024, 1(30), 2970–2990, DOI: 10.1007/s44371-024-00021-x
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Shivani Soni, Sunita Teli, Pankaj Teli, Anu Manhas, Prakash Jha, & Shikha Agarwal, Scientific Reports 2024, 14, 19123, DOI: 10.1038/s41598-024-70071-9
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Mohd Athar, Anu Manhas, Nisarg Rana, & Ahmad Irfan, BIOCELL 2024, 48(6), 935-944, DOI: 10.32604/biocell.2024.049891
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Darji, Mehul, Anu Manhas, Sukanta K. Dash, & Kalisadhan Mukherjee, ChemistrySelect 2024, 9, e202303972, DOI: 10.1002/slct.202303972
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Amar Ghosh, Prakash Jha, & Anu Manhas*, Journal of Biomolecular Structure & Dynamics 2024, 42, 11997–12010, DOI: 10.1080/07391102.2023.2266472
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Nisarg Rana, Dhaval Patel, Meet Parmar, Nandini Mukherjee, Prakash Jha, & Anu Manhas*, Scientific Reports 2023, 13, 18090, DOI: 10.1038/s41598-023-45175-3
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Amar Ghosh, Prakash Jha, & Anu Manhas*, Journal of Biomolecular Structure & Dynamics 2023, DOI: 10.1080/07391102.2023.2266472
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Amar Ghosh, Shreya Mukherjee, Prakash Jha, & Anu Manhas*, Computers in Biology and Medicine 2023, 161, 107055, DOI: 10.1016/j.compbiomed.2023.107055
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Darji, Mehul, Anu Manhas, Sukanta K. Dash, & Kalisadhan Mukherjee, Industrial & Engineering Chemistry Research 2023, 62(20), 7868–7876, DOI: 10.1021/acs.iecr.3c00050
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Teli, Pankaj, Nusrat Sahiba, Anu Manhas, Prakash Jha, Priyadarshi Meena, & Shikha Agarwal, ChemistrySelect 2023, 8, e202204806, DOI: 10.1002/slct.202204806
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Priyanka Solanki, Nisarg Rana, Prakash Jha, & Anu Manhas*, BIOCELL 2023, 47(4), 707-729, https://doi.org/10.32604/biocell.2023.026615
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Anu Manhas*, Amar Ghosh, Yogesh Verma, Tanay Das, & Prakash Jha, Journal of Biomolecular Structure & Dynamics 2023, 41(5), 2002-2015, DOI: 10.1080/07391102.2022.2027819
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Ayushi Sethiya, Deepkumar Joshi, Anu Manhas, Nusrat Sahiba, Dinesh Kr Agarwal, Prakash Jha, & Shikha Agarwal, Heliyon 2023, 9, e13226, DOI: 10.1016/j.heliyon.2023.e13226
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Madhu Pandey, Pooja Shukla, Anu Manhas, Siddhi Kediya, Nao Tsunoji, Rajesh Kumar, Sarvesh S. Harmalkar, Sourav Das, & Mahuya Bandyopadhyay, Molecular Catalysis 2023, 537, 112964, DOI: 10.1016/j.mcat.2023.112964
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Megha Balha*, Nikunjkumar Vagadiya, & Anu Manhas* Materials Today: Proceedings 2022, 62(13), 7007-7018, DOI: 10.1016/j.matpr.2021.12.546
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Anu Manhas*, Mohsin Yousuf Lone, & Prakash Jha Materials Today: Proceedings 2022, 62(13), 7109-7112, DOI: 10.1016/j.matpr.2022.02.032
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Nikunjkumar Vagadiya, Mohil Odedara, Aayushi Joshi, Manoj Pandey, Anu Manhas*, & Nandini Mukherjee* Springer Proceedings in Materials 2022, 15, 221–232, In: Mukherjee, K., Layek, R.K., De, D. (eds) Tailored Functional Materials. Springer Proceedings in Materials, Singapore. DOI: 10.1007/978-981-19-2572-6_17 ISBN: 978-981-19-2572-6
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Aayushi Joshi, Nikunjkumar Vagadiya, Mohil Odedara, Manoj Pandey, Anu Manhas*, & Nandini Mukherjee* Springer Proceedings in Materials 2022, 15, 209–220, In: Mukherjee, K., Layek, R.K., De, D. (eds) Tailored Functional Materials. Springer Proceedings in Materials, Singapore. DOI: 10.1007/978-981-19-2572-6_16 ISBN: 978-981-19-2572-6
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Anu Manhas*, Siddhi Kediya, & Prakash Jha Frontiers in Computational Chemistry 2022, 6, Chapter 4, 132-192, Zaheer Ul-Haq, Angila K Wilson (eds) Benthma Book, Chapter DOI: 10.2174/9789815036848122060006, Book DOI: 10.2174/9789815036 8481220601, eISBN: 978-981-5036-84-8, 2022, ISBN: 978-981-5036-85-5, ISSN: 2352-944X (Print), ISSN: 2352-9458 (Online) ​
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Soni, Jay, Nusrat Sahiba, Ayushi Sethiya, Pankaj Teli, Dinesh Kr Agarwal, Anu Manhas, Prakash Jha, Deepkumar Joshi, & Shikha Agarwal, Polycyclic Aromatic Compounds 2022, 42 (6), 2970–2990, DOI: 10.1080/10406638.2020.1852277
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Madhu Pandey, Divya Jadav, Anu Manhas, Siddhi Kediya, Nao Tsunoji, Rajesh Kumar, Sourav Das, & Mahuya Bandyopadhyay, Molecular Catalysis 2022, 525, 112365, DOI:10.1016/j.mcat.2022.112365
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Amar Ghosh, Anu Manhas*, & Prakash Jha, Journal of Cellular Biochemistry 2022, 123, 628-643, DOI: 10.1002/jcb.30209
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Siddhi Kediya, Anu Manhas, Mohsin Y Lone, & Prakash Jha, Journal of Molecular Graphics & Modelling 2022, 110, 108049, DOI: 10.1016/j.jmgm.2021.108049
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Siddhi Kediya, Anu Manhas, & Prakash Jha, Journal of Physical Organic Chemistry 2022, 35(1), e4283, DOI:10.1002/poc.4283
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Anu Manhas*, Sujeet Kumar, & Prakash Jha, Journal of Biomolecular Structure & Dynamics 2022, 40(1), 31-43, DOI:10.1080/07391102.2020.1806110
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Nusrat Sahiba, Dinesh K. Agarwal, Anu Manhas, Ayushi Sethiya, Jay Soni, Prakash Jha, & Shikha Agarwal, Polycyclic Aromatic Compounds 2022, 42(4), 1201-1219, DOI:10.1080/10406638.2020.1768565
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Ayushi Sethiya, Jay Soni, Anu Manhas, Prakash Jha, & Shikha Agarwal, Research on Chemical Intermediates 2021, 47, 4477–4496, DOI:10.1007/s11164-021-04529-0
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Kediya, Siddhiben*, Anu Manhas*, Mohsin Y. Lone, & Prakash Jha, Journal of Molecular Structure 2020, 1228, 129443, DOI:10.1016/j.molstruc.2020.129443
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Dinesh K. Agarwal, Ayushi Sethiya, Pankaj Teli, Anu Manhas, Jay Soni, Nusrat Sahiba, Prakash Jha, Shikha Agarwal, & Pradeep K. Goyal, Journal of Heterocyclic Chemistry 2020, 57(9), 3294-3309, DOI:10.1002/jhet.4045
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Ayushi Sethiya, Pankaj Teli, Anu Manhas, Dinesh Agarwal, Jay Soni, Nusrat Sahiba, Prakash Jha, & Shikha Agarwal, Synthetic Communications 2020, 50(16), 2440-2460, DOI:10.1080/00397911.2020.1780613
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​Siddhi Kediya, Anu Manhas, & Prakash Jha, ChemistrySelect 2020, 5(18), 5437-5450, DOI:10.1002/slct.202000550
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Anu Manhas, Saikat Dubey, & Prakash Jha, Journal of Biomolecular Structure & Dynamics 2020, 38(9), 2704-2716, DOI:10.1080/07391102.2019.1644197
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Anu Manhas, Dhaval Patel, Mohsin Y. Lone, & Prakash Jha, Journal of Cellular Biochemistry 2019, 120(9), 14531-14543, DOI:10.1002/jcb.28714
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Anu Manhas, Mohsin Y. Lone, & Prakash Jha, Journal of Biomolecular Structure & Dynamics 2019, 37(16), 4181-4199, DOI:10.1080/07391102.2018.1540362
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Anu Manhas, Mohsin Y. Lone, & Prakash Jha, Molecular Diversity 2019, 23(2), 453-470, DOI:10.1007/s11030-018-9885-5
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Anu Manhas, Anjali Patel, Mohsin Y. Lone, Prafulla Jha, & Prakash Jha, Journal of Cellular Biochemistry 2018, 119(10), 8490-8500, DOI:10.1002/jcb.27075
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Vijay Kumar, Mohit Chawla, Luigi Cavallo, Abdul B. Wani, Anu Manhas, Sukhmanpreet Kaur, Albert Poater, Hemlata Chadar, & Niraj Upadhyay, Inorganica Chimica Acta 2018, 469, 379-386, DOI:10.1016/j.ica.2017.08.064
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Mohsin Y. Lone, Anu Manhas, Mohd Athar, & Prakash Jha, Journal of Biomolecular Structure & Dynamics 2018, 36(11), 2951-2965, DOI:10.1080/07391102.2017.1372313
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Mohsin Y. Lone, Mohd Athar, Anu Manhas, Prakash Jha, Shruti Bhatt, & Anamik Shah, ChemistrySelect 2017, 2(33), 10848-10853, DOI:10.1002/slct.201701971
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Anu Manhas, Mohsin Y. Lone, & Prakash Jha, Journal of Molecular Graphics & Modelling 2017, 75, 413-423, DOI:10.1016/j.jmgm.2017.04.025
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Anu Manhas, Sivakumar P. Kumar, & Prakash Jha, RSC Advances 2016, 6 (35), 29466-29485, DOI:10.1039/C6RA01071G
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Vijay Kumar, Niraj Upadhyay, & Anu Manhas, Journal of Molecular Structure 2015, 1099, 135-141, DOI:10.1016/j.molstruc.2015.06.055
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Vijay Kumar, Simranjeet Singh, Anu Manhas, Joginder Singh, Sourav Singla, Parvinder Kaur, Shivika Data, Pritika Negi, & Arjun Kalia, Oriental Journal of Chemistry 2014, 30(4), 1771-1776, DOI:10.13005/ojc/300436