Dr Dipti Dubey
Assistant Professor School of Natural Sciences
School of Natural Sciences
Email: dipti.dubey@snu.edu.in
Linear Complementarity Problem and its Applications inEconomics andFinance, Stochastic Games, and Matrix analysis with Application inOptimization Theory Know more: Click here
Research Overview
Linear Complementarity Problem and its Applications inEconomics andFinance, Stochastic Games, and Matrix analysis with Application inOptimization Theory Know more: Click here
Education
2014, Ph.D., Indian Institute of Technology Delhi
Experience
04/14-11/19 Post-doctoral Fellow, Indian Statistical Institute, Delhi Centre 07/19-08/19 Visiting Assistant Professor, Department of Mathematics, Ashoka University, Sonipat 01/19-05/19 Visiting Assistant Professor, Department of Mathematics, Ashoka University, Sonipat
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| 1 |
Article
Irradiation-driven phase dynamics and surface property evolution in Ni–Si Co-sputtered thin films under swift heavy ion irradiation
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Shah, K.; Maity, G.; Patajoshi, S.; Singh, F.; Sulania, I.; Gupta, M.; Kanjilal, A.; Pandey, R.; Dubey, S. | Applied Surface Science, 719 | 2026 | 0 |
| 2 |
Article
Biofuel Production by Aldehyde-Deformylating Oxygenase: Insights into Spin States, Spin Coupling, and Diiron Cofactor Reactivity Using Multiscale Modeling
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Rana, T.R.K.; Singh, D.; Nath, R.; Paul, A.; Dutta Dubey, K.D.; Rajaraman, G. | Inorganic Chemistry, 65(2), 1561-1573 | 2026 | 0 |
| 3 |
Book chapter
Addressing the Challenges in Federating Edge Resources
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Dubey, A.; Sharma, S.; Devi, K.; Singh, S.P.; Balusamy, B.; Samuel, P. | Advances in Science, Technology and Innovation, Part F1277, 17-33 | 2026 | 0 |
| 4 |
Book chapter
A Lightweight AI-Enabled Container Middleware for Edge Cloud Architectures
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Kumar, N.; Sharma, S.; Dubey, A.; Devi, K.; Balusamy, B. | Advances in Science, Technology and Innovation, Part F1277, 75-99 | 2026 | 0 |
| 5 |
Book chapter
Predictive Analysis in Healthcare to Support Fog Application Deployment
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Kumar, N.; Sharma, S.; Dubey, A.; Saini, V.; Jaiprakash, S.P.; Balusamy, B. | Advances in Science, Technology and Innovation, Part F1277, 111-122 | 2026 | 0 |
| 6 |
Review Open access
Role of Propionate Side Chain in Heme-Containing Metalloenzymes
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Singh, D.; Kardam, V.; Dutta Dubey, K.D. | ACS Organic and Inorganic Au, 5(6), 451-466 | 2025 | 0 |
| 7 |
Article Open access
Oriented Electric Fields─Universal Catalysts
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Shaik, S.; Danovich, D.; Kalita, S.; Dutta Dubey, K.D. | Accounts of Chemical Research, 58(19), 3071-3080 | 2025 | 2 |
| 8 |
Article
Unusually Stable Synthetic Diheme Bis-Fe(IV)oxo: An Intermediate in Diheme Enzymes MauG and BthA
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Samanta, D.; Sarkar, S.; Singh, D.; Samanta, S.; Manna, S.; Dutta Dubey, K.D.; Dey, A.; Shaik, S.; Rath, S.P. | Journal of the American Chemical Society, 147(26), 22562-22571 | 2025 | 1 |
| 9 |
Article
Efficient Access of Heterocycles Utilizing Inherent Carbodicationic Reactivity of Ynone via Lewis Acid Catalysed C─C Triple Bond Cleavage
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Ahmad, A.; Indu, K.; Siddiqui, S.A.; Gupta, L.; Dutta Dubey, K.D.; Kapat, A. | Chemistry - A European Journal, 31(32) | 2025 | 0 |
| 10 |
Article
Leveraging molecular dynamics, physicochemical, and structural analysis to explore OMP33-36 protein as a drug target in Acinetobacter baumannii: An approach against nosocomial infection
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Singh, S.; Agarwal, J.; Das, A.; Trivedi, M.; Dutta Dubey, K.D.; Athish Pranav, K.V.; Dwivedi, M. | Journal of Molecular Graphics and Modelling, 136 | 2025 | 1 |
| 11 |
Article
Adaptive adam-based optimizers using second-order weight decoupling and gradient-aware weight decay for vision transformer
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Hemanth Sai, B.; Mukherjee, S.; Dubey, S.R. | Machine Vision and Applications, 36(3) | 2025 | 1 |
| 12 |
Article
Synthesis ADMET molecular docking, MD simulation and MM-PBSA investigations of a novel hetero-steroid with Anti-proliferative and Anti-inflammatory properties
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Srivastava, S.; Pandey, S.; Kumar, A.; Siddiqui, S.A.; Dutta Dubey, K.D. | Journal of Molecular Structure, 1321 | 2025 | 6 |
| 13 |
Article
The Role of the Carbonyl Group in C-C Triple Bond Cleavage of Ynones via Grob-Type Fragmentation under Acidic Conditions
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Ahmad, A.; Siddiqui, S.A.; Tyagi, P.; Gupta, L.; Dutta Dubey, K.D.; Kapat, A. | Journal of Organic Chemistry | 2025 | 1 |
| 14 |
Article Open access
Structure-Based Discovery of MolPort-137: A Novel Autotaxin Inhibitor That Improves Paclitaxel Efficacy
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Rai, P.; Clark, C.J.; Kardam, V.; Womack, C.B.; Thammathong, J.; Norman, D.D.; Tigyi, G.J.; Bicker, K.; Weissmiller, A.M.; Dutta Dubey, K.D.; Banerjee, S. | International Journal of Molecular Sciences, 26(2) | 2025 | 0 |
| 15 |
Article
Development of nano-porous Au thin film at room temperature via ion irradiation in a-Ge/Au bilayer system followed by chemical etching of Ge
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Maity, G.; Patel, G.; Ojha, S.; Dubey, S.; Patel, S.P.; Kanjilal, D. | Journal of Crystal Growth, 649 | 2025 | 1 |
| 16 |
Article
On the properties of solution set of absolute value equations
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Yadav, S.; Dubey, D. | Optimization Letters | 2025 | 0 |
| 17 |
Article
Amyloid-like Aggregation Propensities of Metabolites- Homogentisic Acid, N-Acetyl Aspartic Acid and Isovaleric Acid
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Dave, R.; Jaiswal, A.; Naseer, A.; Tripathi, A.; Patel, M.; Revi, N.; Rengan, A.K.; Dutta Dubey, K.D.; Nazir, A.; Verma, S.; Gour, N. | ChemBioChem, 25(23) | 2024 | 2 |
| 18 |
Article Open access
Small cyclic dipeptide produced by Lactobacillus rhamnosus with anti-biofilm properties against Streptococcus mutans biofilm
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Niranjan, R.; Patil, S.; Dubey, A.; Lochab, B.; Priyadarshini, R. | Biofilm, 8 | 2024 | 9 |
| 19 |
Article
Structural and mechanistic insights into oxidative biaryl coupling to form the arylomycin core by an engineered CYP450
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Kardam, V.; Bhatt, V.; Dutta Dubey, K.D. | Dalton Transactions, 54(2), 754-763 | 2024 | 4 |
| 20 |
Article
Mechanism of a novel metal-free carbonic anhydrase
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Yadav, S.; Kalita, S.; Dutta Dubey, K.D. | Physical Chemistry Chemical Physics, 26(44), 28124-28132 | 2024 | 3 |
| 21 |
Article
Designed CYP450 Scaffold That Possesses a Local Electric Field Biodegrades Polyethylene Terephthalate
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Siddiqui, S.A.; Shaik, S.; Dutta Dubey, K.D. | ACS Catalysis, 14(20), 15108-15122 | 2024 | 4 |
| 22 |
Article
Understanding the Functional Dynamics of the TokK Enzyme in Carbapenem Biosynthesis via MD Simulations and QM/MM Calculations
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Siddiqui, S.A.; Dutta Dubey, K.D. | Inorganic Chemistry, 63(40), 18963-18971 | 2024 | 1 |
| 23 |
Article
On almost semimonotone matrices with non-positive off-diagonal elements and their generalizations
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Chauhan, B.P.; Dubey, D. | Linear Algebra and Its Applications, 698, 272-294 | 2024 | 1 |
| 24 |
Article Open access
Computational investigation of novel synthetic analogs of C-1′β substituted remdesivir against RNA-dependent RNA-polymerase of SARS-CoV-2
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Cardoza, S.; Singh, A.; Sur, S.; Singh, M.; Dutta Dubey, K.D.; Samanta, S.K.; Mandal, A.; Tandon, V. | Heliyon, 10(17) | 2024 | 2 |
| 25 |
Review
Advances in borophene based photodetectors for a sustainable tomorrow: a comprehensive review
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Maity, G.; Mishra, P.K.; Patel, G.; Dubey, S. | Nanoscale, 16(39), 18295-18318 | 2024 | 8 |
| 26 |
Book chapter
Concept and applications of biomolecular simulations
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Kardam, V.; Dutta Dubey, K.D. | Computational Studies: From Molecules to Materials, 87-115 | 2024 | 0 |
| 27 |
Article Open access
Structural assessment of OsNIP2;1 highlighted critical residues defining solute specificity and functionality of NIP class aquaporins
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Sharma, Y.; Thakral, V.; Raturi, G.; Dutta Dubey, K.; Sonah, H.; Pareek, A.; Sharma, T.R.; Deshmukh, R. | Journal of Advanced Research, 58, 1-11 | 2024 | 3 |
| 28 |
Article Open access
On the engineering of reductase-based-monooxygenase activity in CYP450 peroxygenases
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Yadav, S.; Shaik, S.; Dutta Dubey, K. | Chemical Science, 15(14), 5174-5186 | 2024 | 7 |
| 29 |
Article
Deep Model Compression based on the Training History
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Basha, S.H.S.; Farazuddin, M.; Pulabaigari, V.; Dubey, S.R.; Mukherjee, S. | Neurocomputing, 573 | 2024 | 19 |
| 30 |
Article
Amyloidogenic Propensity of Metabolites in the Uric Acid Pathway and Urea Cycle Critically Impacts the Etiology of Metabolic Disorders
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Patel, M.; Jaiswal, A.; Naseer, A.; Tripathi, A.; Joshi, A.; Minocha, T.; Kautu, A.; Gupta, S.; Ballabh Joshi, K.B.; Pandey, M.K.; Kumar, R.; Dutta Dubey, K.; Nazir, A.; Verma, S.; Gour, N. | ACS Chemical Neuroscience, 15(5), 916-931 | 2024 | 6 |
| 31 |
Article Open access
Fetal Ultrasound Segmentation and Measurements Using Appearance and Shape Prior Based Density Regression with Deep CNN and Robust Ellipse Fitting
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Dubey, G.; Srivastava, S.; Jayswal, A.K.; Saraswat, M.; Singh, P.; Memoria, M. | Journal of Imaging Informatics in Medicine, 37(1), 247-267 | 2024 | 5 |
| 32 |
Conference paper
WSD: Wild Selfie Dataset for Face Recognition in Selfie Images
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Kumarapu, L.; Dubey, S.R.; Mukherjee, S.; Mohan, P.; Vinnakoti, S.P.; Karthikeya, S. | Communications in Computer and Information Science, 2009 CCIS, 1-12 | 2024 | 2 |
| 33 |
Article
Phytocompounds as versatile drug-leads targeting mProtease in the SARS-CoV-2 virus: insights from a molecular dynamics study
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Dwivedi, M.; Devi, S.S.; Singh, S.; Trivedi, M.; Hussain, N.; Yadav, S.; Dutta Dubey, K. | Journal of Biomaterials Science, Polymer Edition, 35(16), 2528-2548 | 2024 | 2 |
| 34 |
Article
The mechanistic insights into different aspects of promiscuity in metalloenzymes
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Tripathi, A.; Dutta Dubey, K. | Advances in Protein Chemistry and Structural Biology, 141, 23-66 | 2024 | 1 |
| 35 |
Editorial Open access
Editorial: Computational aspects of biomolecular recognition and processes
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Srivastava, A.K.; Karnati, K.R.; Dutta Dubey, K. | Frontiers in Chemistry, 12 | 2024 | 0 |
| 36 |
Article Open access
Rational design of a cyclohexanone dehydrogenase for enhanced α,β-desaturation and substrate specificity
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Singh, W.; Brown, N.L.; McCue, H.V.; Marriott, S.R.; Wilson, R.C.; Perry, J.; Turkenburg, J.P.; Dutta Dubey, K.; Prior, S.H.; Carnell, A.J.; Taylor, E.J.; Black, G.W. | Chemical Science | 2024 | 2 |
| 37 |
Review Open access
Designed Local Electric Fields─Promising Tools for Enzyme Engineering
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Siddiqui, S.A.; Stuyver, T.; Shaik, S.; Dutta Dubey, K. | JACS Au, 3(12), 3259-3269 | 2023 | 35 |
| 38 |
Article Open access
Computationally guided bioengineering of the active site, substrate access pathway, and water channels of thermostable cytochrome P450, CYP175A1, for catalyzing the alkane hydroxylation reaction
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Taher, M.; Dutta Dubey, K.; Mazumdar, S. | Chemical Science, 14(48), 14316-14326 | 2023 | 14 |
| 39 |
Article
Novel template free synthesis of high surface area mesoporous ceria and adaptive neuro fuzzy interference system (ANFIS) modelling for Cr(VI) adsorption
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Dubey, M.; Joshi, M.; Thota, C.; Kumar, R. | Materials Science and Engineering: B, 298 | 2023 | 7 |
| 40 |
Article Open access
Unraveling topoisomerase IA gate dynamics in presence of PPEF and its preclinical evaluation against multidrug-resistant pathogens
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Maurya, V.; Singh, R.; Singh, R.K.; Pandey, S.; Yadav, P.; Parashar, P.; Gaind, R.; Dutta Dubey, K.D.; Patwari, G.; Tandon, V. | Communications Biology, 6(1) | 2023 | 6 |
| 41 |
Article
Tyr 118-Mediated Electron Transfer is Key to the Chlorite Decomposition in Heme-Dependent Chlorite Dismutase
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Kardam, V.; Dutta Dubey, K.D. | Inorganic Chemistry, 62(44), 18322-18330 | 2023 | 6 |
| 42 |
Article Open access
Design and Synthesis of Co-initiators via Base-Catalysed Sequential Conjugate Addition: Application in Photoinduced Radical Polymerisation Reaction
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Ahmad, A.; Siddiqui, S.A.; Mittal, G.; Sukumar, N.; Dutta Dubey, K.D.; Kapat, A. | Chemistry - A European Journal, 29(57) | 2023 | 1 |
| 43 |
Review
Nanomachines in living matters: the soft-robot cytochrome P450
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Shaik, S.; Dutta Dubey, K.D. | Trends in Chemistry, 5(10), 763-774 | 2023 | 7 |
| 44 |
Article Open access
A porphyrin-based molecular cage guided by designed local-electric field is highly selective and efficient
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Siddiqui, S.A.; Shaik, S.; Kalita, S.; Dutta Dubey, K.D. | Chemical Science, 14(37), 10329-10339 | 2023 | 8 |
| 45 |
Article Open access
Electro-Freezing of Supercooled Water Is Induced by Hydrated Al3+ and Mg2+ Ions: Experimental and Theoretical Studies
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Fuhrman Javitt, L.; Kalita, S.; Dutta Dubey, K.D.; Ehre, D.; Shaik, S.; Lahav, M.; Lubomirsky, I. | Journal of the American Chemical Society, 145(34), 18904-18911 | 2023 | 10 |
| 46 |
Article Open access
Esterase Specific Fluorescent Probe: Mechanistic Understanding Using QM/MM Calculation and Cell States Discrimination
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Yadav, R.; Munan, S.; Kardam, V.; Dutta Dubey, K.D.; Samanta, A. | Chemistry - A European Journal, 29(32) | 2023 | 13 |
| 47 |
Article
Substrate Conformation Regulates Aromatic C-H Vs C-F Bond Activation in Heme-Dependent Tyrosine Hydroxylase
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Singh, W.; Santos, S.F.G.; Yadav, S.; Black, G.W.; Dutta Dubey, K.D. | Biochemistry, 62(10), 1577-1587 | 2023 | 5 |
| 48 |
Article
A single site mutation can induce functional promiscuity in homoserine kinase
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Tripathi, A.; Dutta Dubey, K.D. | Organic and Biomolecular Chemistry, 21(22), 4648-4655 | 2023 | 4 |
| 49 |
Article
Decarboxylation and Protonation Enigma in the H85Q Mutant of Cytochrome P450OleT
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Yadav, S.; Shaik, S.; Dutta Dubey, K.D. | Journal of Physical Chemistry B, 127(13), 2927-2933 | 2023 | 6 |
| 50 |
Article
On almost semimonotone matrices and the linear complementarity problem
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Chauhan, B.P.; Dubey, D. | Linear Algebra and Its Applications, 661, 35-50 | 2023 | 2 |
Project details will be updated soon.
Research contributions aligned with UN Sustainable Development Goals:
3
Good Health and Well-being
6
Clean Water and Sanitation
7
Affordable and Clean Energy
9
Industry, Innovation and Infrastructure
11
Sustainable Cities and Communities
13
Climate Action
| Type | Title | Status | Filed Date | Inventors |
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Awards & Honors
- No awards listed.
Professional Memberships
- No memberships listed.
Additional information will be updated soon.