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Kalyanashis Jana

Central Salt and Marine Chemicals Research Institute
Academy of Scientific and Innovative Research

29

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181

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The mechanism of conversion of substituted glycals to chiral acenes via Diels–Alder reaction: a computational study

2021 Organic and Biomolecular Chemistry
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Author response for "Common mechanism of thermostability in small α‐ and β‐proteins studied by molecular dynamics"

2020
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Quantum Chemical and Well-Tempered Metadynamics Study to Design Adenine Analogs for Orthogonal Preq1 Riboswitch

2019 Journal of Biomolecular Structure & Dynamics
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Probing the Role of Imidazopyridine and Imidazophosphorine ScaffoldsTo Design Novel Proton Pump Inhibitor for H + ,K + ‑ATPase: A DFT Study

2019
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Indium-Catalyzed Denitrogenative Transannulation of Pyridotriazoles: Synthesis of Pyrido[1,2-a]indoles

2019 Organic Letters
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Instant Detection of Hydrogen Cyanide Gas and Cyanide Salts in Solid Matrices and Water by using CuII and NiII Complexes of Intramolecularly Hydrogen Bonded Zwitterions

2018 Chemistry: A European Journal
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Stereoselective Metabolism of Omeprazole by Cytochrome P450 2C19 and 3A4: Mechanistic Insights from DFT Study

2018 Journal of Physical Chemistry B
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Stereoselective Metabolism of Omeprazole by Cytochrome P450 2C19 and 3A4: Mechanistic Insights from DFT Study B

2018 The Journal of Physical Chemistry
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Transformation of Substituted Glycals to Chiral Fused Aromatic Cores via Annulative π-Extension Reactions with Arynes

2018 Organic Letters
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Influence of gauche effect on uncharged oxime reactivators for the reactivation of tabun-inhibited AChE: quantum chemical and steered molecular dynamics studies

2018 Journal of Computer-aided Molecular Design
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