Revealing the Inhibition Mechanism of RNA-Dependent RNA Polymerase (RdRp) of SARS-CoV‑2 by Remdesivir and Nucleotide Analogues: A Molecular Dynamics Simulation Study
Wakchaure, Padmaja D, Ghosh, Shibaji, Ganguly, Bishwajit
Published in The journal of physical chemistry. B (25.11.2020)
Published in The journal of physical chemistry. B (25.11.2020)
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Journal Article
Unraveling the Role of π‑Stacking Interactions in Ligand Binding to the Thiamine Pyrophosphate Riboswitch with High-level Quantum Chemical Calculations and Docking Study
Wakchaure, Padmaja D, Ganguly, Bishwajit
Published in The journal of physical chemistry. B (10.02.2022)
Published in The journal of physical chemistry. B (10.02.2022)
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Journal Article
Metal ion-decorated hexasilaprismane and its derivative as a molecular container for the separation of CO2 from flue gas molecules: a computational study
Wakchaure, Padmaja D, Ganguly, Bishwajit
Published in Dalton transactions : an international journal of inorganic chemistry (04.04.2023)
Published in Dalton transactions : an international journal of inorganic chemistry (04.04.2023)
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Journal Article
Metal ion-decorated hexasilaprismane and its derivative as a molecular container for the separation of CO 2 from flue gas molecules: a computational study
Wakchaure, Padmaja D, Ganguly, Bishwajit
Published in Dalton transactions : an international journal of inorganic chemistry (04.04.2023)
Published in Dalton transactions : an international journal of inorganic chemistry (04.04.2023)
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Journal Article
Molecular level insights into the inhibition of gene expression by thiamine pyrophosphate (TPP) analogs for TPP riboswitch: A well-tempered metadynamics simulations study
Wakchaure, Padmaja D., Ganguly, Bishwajit
Published in Journal of molecular graphics & modelling (01.05.2021)
Published in Journal of molecular graphics & modelling (01.05.2021)
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Journal Article
The mechanism of conversion of substituted glycals to chiral acenes via Diels-Alder reaction: a computational study
Jana, Kalyanashis, Wakchaure, Padmaja D, Hussain, Nazar, Mukherjee, Debaraj, Ganguly, Bishwajit
Published in Organic & biomolecular chemistry (21.07.2021)
Published in Organic & biomolecular chemistry (21.07.2021)
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Journal Article
Structural insights into the interactions of flavin mononucleotide (FMN) and riboflavin with FMN riboswitch: a molecular dynamics simulation study
Wakchaure, Padmaja D., Jana, Kalyanashis, Ganguly, Bishwajit
Published in Journal of biomolecular structure & dynamics (01.09.2020)
Published in Journal of biomolecular structure & dynamics (01.09.2020)
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Journal Article
Comparison of Intravenous Tranexamic Acid versus Combined Intravenous and Local Infiltration of Tranexamic Acid in Reducing Perioperative Blood Loss in Patients Undergoing Primary Unilateral Total Hip Arthroplasty: A Randomised Clinical Study
Rao, T Sita, Yadav, Monu, Kar, Akhya Kumar, Padmaja, D
Published in Journal of clinical and diagnostic research (01.05.2023)
Published in Journal of clinical and diagnostic research (01.05.2023)
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Journal Article
Quantum chemical and well-tempered metadynamics study to design adenine analogs for orthogonal Preq1 riboswitch
Jana, Kalyanashis, Wakchaure, Padmaja D., Ghosh, Shibaji, Bandyopadhyay, Tusar, Ganguly, Bishwajit
Published in Journal of biomolecular structure & dynamics (12.10.2020)
Published in Journal of biomolecular structure & dynamics (12.10.2020)
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Journal Article
Quantum chemical and well-tempered metadynamics study to design adenine analogs for orthogonal Preq 1 riboswitch
Jana, Kalyanashis, Wakchaure, Padmaja D, Ghosh, Shibaji, Bandyopadhyay, Tusar, Ganguly, Bishwajit
Published in Journal of biomolecular structure & dynamics (12.10.2020)
Published in Journal of biomolecular structure & dynamics (12.10.2020)
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Journal Article
New thioether-hydrazide based ONS donor Schiff base and its Pd(II) complex: Synthesis, crystal structure, thermal analysis, hirshfeld surface analysis, quantum chemical studies and molecular docking
Venkata Padmaja, D., Rajegowda, H.R., Chethan, B.S., P, Krishnamurthy, Khan, Riyaz ur Rahaman, Suchetan, P.A., Lokanath, N.K., Somashekar, M.N., Jayashankar, B.
Published in Journal of molecular structure (05.06.2023)
Published in Journal of molecular structure (05.06.2023)
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Journal Article
Metaheuristic Methods for Efficiently Predicting and Classifying Real Life Heart Disease Data Using Machine Learning
Ramirez-Asis, Elia, Guzman-Avalos, Magna, Mazumdar, Bireshwar Dass, Padmaja, D Lakshmi, Mishra, Manmohan, Hirolikar, Deepali S, Kaliyaperumal, Karthikeyan
Published in Mathematical problems in engineering (2022)
Published in Mathematical problems in engineering (2022)
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Journal Article
A Cascade Reaction Actuated by Nucleophilic Heterocyclic Carbene Catalyzed Intramolecular Addition of Enals via Homoenolate to α,β-Unsaturated Esters: Efficient Synthesis of Coumarin Derivatives
Sinu, C. R, Padmaja, D. V. M, Ranjini, U. P, Seetha Lakshmi, K. C, Suresh, Eringathodi, Nair, Vijay
Published in Organic letters (04.01.2013)
Published in Organic letters (04.01.2013)
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Journal Article
Implementing Critical Machine Learning (ML) Approaches for Generating Robust Discriminative Neuroimaging Representations Using Structural Equation Model (SEM)
Baker, Mohammed Rashad, Padmaja, D. Lakshmi, Puviarasi, R., Mann, Suman, Panduro-Ramirez, Jeidy, Tiwari, Mohit, Samori, Issah Abubakari
Published in Computational and mathematical methods in medicine (14.04.2022)
Published in Computational and mathematical methods in medicine (14.04.2022)
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Journal Article