Prasad V. Bharatam

18 papers Journal 18
YearRankTypeTitle / Venue / Authors
2025 J jnl
Stable, aromatic, and electrophilic azepinium ions: Design using quantum chemical methods.
J. Comput. Chem.
Nabajyoti Patra, Astha Gupta, Prasad V. Bharatam
2024 J jnl
Molecular Mechanisms Underlying Single Nucleotide Polymorphism-Induced Reactivity Decrease in CYP2D6.
J. Chem. Inf. Model.
Daniel Becker, Prasad V. Bharatam, Holger Gohlke
2024 J jnl
Monovalent cation binding to model systems and the macrocyclic depsipeptide, emodepside.
J. Comput. Chem.
Govindan Subramanian, Kanika Manchanda, Yirong Mo, Rohit Y. Sathe, Prasad V. Bharatam
2023 J jnl
The importance of four-membered NHCs in stabilizing Breslow intermediates on benzoin condensation pathway.
J. Comput. Chem.
Gurudutt Dubey, Tejender Singh, Prasad V. Bharatam
2021 J jnl
F/G Region Rigidity is Inversely Correlated to Substrate Promiscuity of Human CYP Isoforms Involved in Metabolism.
J. Chem. Inf. Model.
Daniel Becker, Prasad V. Bharatam, Holger Gohlke
2021 J jnl
Identification of Selective Inhibitors of LdDHFR Enzyme Using Pharmacoinformatic Methods.
J. Comput. Biol.
Vishnu Kumar Sharma, Prasad V. Bharatam
2020 J jnl
Divalent NI Compounds: Identifying new Carbocyclic Carbenes to Design Nitreones using Quantum Chemical Methods.
J. Comput. Chem.
Neha Patel, Minhajul Arfeen, Tejender Singh, Shweta Bhagat, Ajay Sakhare, Prasad V. Bharatam
2019 J jnl
Donor→acceptor coordination interactions in 1, 3-bis(NHC)triazenyl Cations: An electronic structure analysis.
J. Comput. Chem.
Tejender Singh, Prasad V. Bharatam
2019 J jnl
Electronic and ligating properties of carbocyclic carbenes: A theoretical investigation.
J. Comput. Chem.
Shweta Bhagat, Minhajul Arfeen, Gourav Das, Neha Patel, Prasad V. Bharatam
2014 J jnl
Detour matrix-based adjacent path eccentric distance sum indices for QSAR/QSPR. Part I: development and evaluation.
Int. J. Comput. Biol. Drug Des.
Monika Singh, Harish Jangra, Prasad V. Bharatam, A. K. Madan
2014 J jnl
Importance of cytochromes in cyclization reactions: Quantum chemical study on a model reaction of proguanil to cycloguanil.
J. Comput. Chem.
Minhajul Arfeen, Dhilon S. Patel, Sheenu Abbat, Nikhil Taxak, Prasad V. Bharatam
2013 J jnl
Existence of dynamic tautomerism and divalent N(I) character in N-(pyridin-2-yl)thiazol-2-amine.
J. Comput. Chem.
Sonam Bhatia, Yogesh J. Malkhede, Prasad V. Bharatam
2012 J jnl
Dendrimer building toolkit: Model building and characterization of various dendrimer architectures.
J. Comput. Chem.
Vishal Maingi, Vaibhav Jain, Prasad V. Bharatam, Prabal K. Maiti
2012 J jnl
Fourth generation detour matrix-based topological indices for QSAR/QSPR - Part-1: development and evaluation.
Int. J. Comput. Biol. Drug Des.
Rakesh Kumar Marwaha, Harish Jangra, Kinkar Chandra Das, Prasad V. Bharatam, A. K. Madan
2012 J jnl
Metabolic-intermediate complex formation with cytochrome P450: Theoretical studies in elucidating the reaction pathway for the generation of reactive nitroso intermediate.
J. Comput. Chem.
Nikhil Taxak, Prashant V. Desai, Bhargav Patel, Michael Mohutsky, Valentine J. Klimkowski, Vijay Gombar, Prasad V. Bharatam
2010 J jnl
Electronic structure and reactivity of guanylthiourea: A quantum chemical study.
J. Comput. Chem.
Ahmed Mehdi, Legesse Adane, Dhilon S. Patel, Prasad V. Bharatam
2006 J jnl
New leads for selective GSK-3 inhibition: pharmacophore mapping and virtual screening studies.
J. Comput. Aided Mol. Des.
Dhilon S. Patel, Prasad V. Bharatam
2006 J jnl
Theoretical studies on electron delocalization in diaminoguanidine.
J. Comput. Chem.
Prasad V. Bharatam, Pansy Iqbal