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2020 – today
- 2025
[j18]Nabajyoti Patra, Astha Gupta, Prasad V. Bharatam:
Stable, aromatic, and electrophilic azepinium ions: Design using quantum chemical methods. J. Comput. Chem. 46(1) (2025)- 2024
- [j17]Govindan Subramanian
, Kanika Manchanda, Yirong Mo, Rohit Y. Sathe, Prasad V. Bharatam:
Monovalent cation binding to model systems and the macrocyclic depsipeptide, emodepside. J. Comput. Chem. 45(28): 2409-2423 (2024) - [j16]Daniel Becker, Prasad V. Bharatam, Holger Gohlke:
Molecular Mechanisms Underlying Single Nucleotide Polymorphism-Induced Reactivity Decrease in CYP2D6. J. Chem. Inf. Model. 64(15): 6026-6040 (2024) - 2023
- [j15]Gurudutt Dubey, Tejender Singh, Prasad V. Bharatam:
The importance of four-membered NHCs in stabilizing Breslow intermediates on benzoin condensation pathway. J. Comput. Chem. 44(3): 346-354 (2023) - 2021
- [j14]Vishnu Kumar Sharma, Prasad V. Bharatam:
Identification of Selective Inhibitors of LdDHFR Enzyme Using Pharmacoinformatic Methods. J. Comput. Biol. 28(1): 43-59 (2021) - [j13]Daniel Becker, Prasad V. Bharatam, Holger Gohlke:
F/G Region Rigidity is Inversely Correlated to Substrate Promiscuity of Human CYP Isoforms Involved in Metabolism. J. Chem. Inf. Model. 61(8): 4023-4030 (2021) - 2020
- [j12]Neha Patel, Minhajul Arfeen, Tejender Singh, Shweta Bhagat, Ajay Sakhare, Prasad V. Bharatam:
Divalent NI Compounds: Identifying new Carbocyclic Carbenes to Design Nitreones using Quantum Chemical Methods. J. Comput. Chem. 41(31): 2624-2633 (2020)
2010 – 2019
- 2019
- [j11]Shweta Bhagat, Minhajul Arfeen, Gourav Das, Neha Patel, Prasad V. Bharatam:
Electronic and ligating properties of carbocyclic carbenes: A theoretical investigation. J. Comput. Chem. 40(5): 726-733 (2019) - [j10]Tejender Singh, Prasad V. Bharatam:
Donor→acceptor coordination interactions in 1, 3-bis(NHC)triazenyl Cations: An electronic structure analysis. J. Comput. Chem. 40(25): 2207-2215 (2019) - 2014
- [j9]Monika Singh, Harish Jangra, Prasad V. Bharatam, A. K. Madan:
Detour matrix-based adjacent path eccentric distance sum indices for QSAR/QSPR. Part I: development and evaluation. Int. J. Comput. Biol. Drug Des. 7(4): 295-318 (2014) - [j8]Minhajul Arfeen, Dhilon S. Patel, Sheenu Abbat, Nikhil Taxak, Prasad V. Bharatam:
Importance of cytochromes in cyclization reactions: Quantum chemical study on a model reaction of proguanil to cycloguanil. J. Comput. Chem. 35(28): 2047-2055 (2014) - 2013
- [j7]Sonam Bhatia, Yogesh J. Malkhede, Prasad V. Bharatam:
Existence of dynamic tautomerism and divalent N(I) character in N-(pyridin-2-yl)thiazol-2-amine. J. Comput. Chem. 34(18): 1577-1588 (2013) - 2012
- [j6]Rakesh Kumar Marwaha, Harish Jangra, Kinkar Chandra Das, Prasad V. Bharatam, A. K. Madan:
Fourth generation detour matrix-based topological indices for QSAR/QSPR - Part-1: development and evaluation. Int. J. Comput. Biol. Drug Des. 5(3/4): 335-360 (2012) - [j5]Nikhil Taxak, Prashant V. Desai, Bhargav Patel, Michael Mohutsky, Valentine J. Klimkowski, Vijay Gombar, Prasad V. Bharatam:
Metabolic-intermediate complex formation with cytochrome P450: Theoretical studies in elucidating the reaction pathway for the generation of reactive nitroso intermediate. J. Comput. Chem. 33(21): 1740-1747 (2012) - [j4]Vishal Maingi, Vaibhav Jain, Prasad V. Bharatam, Prabal K. Maiti:
Dendrimer building toolkit: Model building and characterization of various dendrimer architectures. J. Comput. Chem. 33(25): 1997-2011 (2012) - 2010
- [j3]Ahmed Mehdi, Legesse Adane, Dhilon S. Patel, Prasad V. Bharatam:
Electronic structure and reactivity of guanylthiourea: A quantum chemical study. J. Comput. Chem. 31(6): 1259-1267 (2010)
2000 – 2009
- 2006
- [j2]Dhilon S. Patel, Prasad V. Bharatam:
New leads for selective GSK-3 inhibition: pharmacophore mapping and virtual screening studies. J. Comput. Aided Mol. Des. 20(1): 55-66 (2006) - [j1]Prasad V. Bharatam, Pansy Iqbal:
Theoretical studies on electron delocalization in diaminoguanidine. J. Comput. Chem. 27(3): 334-343 (2006)
Coauthor Index
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