Shobhit S. Chaturvedi

All papers authored by Shobhit S. Chaturvedi

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2024 Shobhit S. Chaturvedi

, Santiago Vargas, Pujan Ajmera, Anastassia N. Alexandrova

Directed Evolution of Protoglobin Optimizes the Enzyme Electric Field

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Midhun George Thomas, Simahudeen Bathir Jaber Sathik Rifayee

, Shobhit S. Chaturvedi

, Koteswara Rao Gorantla

, Walter White, Jon Wildey, Christopher J. Schofield

, Christo Z. Christov

The Unique Role of the Second Coordination Sphere to Unlock and Control Catalysis in Nonheme Fe(II)/2-Oxoglutarate Histone Demethylase KDM2A

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2023 Shobhit S. Chaturvedi

, Midhun George Thomas, Simahudeen Bathir Jaber Sathik Rifayee, Walter White, Jon Wildey, Cait Warner, Christopher J. Schofield, Jian Hu, Robert P. Hausinger, Tatayana G. Karabencheva‐Christova, Christo Z. Christov

Dioxygen Binding Is Controlled by the Protein Environment in Non‐heme Fe^II and 2‐Oxoglutarate Oxygenases: A Study on Histone Demethylase PHF8 and an Ethylene‐Forming Enzyme

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Shobhit S. Chaturvedi

, Simahudeen Bathir Jaber Sathik Rifayee

, Rajeev Ramanan

, Joel A. Rankin

, Jian Hu

, Robert P. Hausinger

, Christo Z. Christov

Can an external electric field switch between ethylene formation and l-arginine hydroxylation in the ethylene forming enzyme?

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Shobhit S. Chaturvedi

, Daniel Bím

, Christo Z. Christov

, Anastassia N. Alexandrova

From random to rational: improving enzyme design through electric fields, second coordination sphere interactions, and conformational dynamics

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2022 Shobhit S. Chaturvedi

, Simahudeen Bathir Jaber Sathik Rifayee

, Sodiq O. Waheed

, Jon Wildey, Cait Warner, Christopher J. Schofield

, Tatyana G. Karabencheva-Christova

, Christo Z. Christov

Can Second Coordination Sphere and Long-Range Interactions Modulate Hydrogen Atom Transfer in a Non-Heme Fe(II)-Dependent Histone Demethylase?

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Sodiq O. Waheed

, Ann Varghese, Shobhit S. Chaturvedi

, Tatyana G. Karabencheva-Christova

, Christo Z. Christov

How Human TET2 Enzyme Catalyzes the Oxidation of Unnatural Cytosine Modifications in Double-Stranded DNA

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Ann Varghese

, Shobhit S. Chaturvedi

, Bella DiCastri, Emerald Mehler, Gregg B. Fields, Tatyana G. Karabencheva‐Christova

Front Cover: Effects of the Nature of Metal Ion, Protein and Substrate on the Catalytic Center in Matrix Metalloproteinase‐1: Insights from Multilevel MD, QM/MM and QM Studies (ChemPhysChem 4/2022)

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Ann Varghese

, Shobhit S. Chaturvedi

, Bella DiCastri, Emerald Mehler, Gregg B. Fields, Tatyana G. Karabencheva‐Christova

Effects of the Nature of Metal Ion, Protein and Substrate on the Catalytic Center in Matrix Metalloproteinase‐1: Insights from Multilevel MD, QM/MM and QM Studies

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This paper was not found in any repository; the policy of its publisher is unknown or unclear.

Shobhit Sanjeev Chaturvedi

Multilevel Computational Investigation Into the Dynamics and Reaction Mechanisms of Non-Heme Iron and 2-Oxoglutarate Dependent Enzymes

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2021 Sodiq O. Waheed

, Shobhit S. Chaturvedi

, Tatyana G. Karabencheva-Christova

, Christo Z. Christov

Catalytic Mechanism of Human Ten-Eleven Translocation-2 (TET2) Enzyme: Effects of Conformational Changes, Electric Field, and Mutations

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Shobhit S. Chaturvedi

, Rajeev Ramanan

, Jian Hu

, Robert P. Hausinger

, Christo Z. Christov

Atomic and Electronic Structure Determinants Distinguish between Ethylene Formation and l-Arginine Hydroxylation Reaction Mechanisms in the Ethylene-Forming Enzyme

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2020 Sodiq O. Waheed

, Rajeev Ramanan

, Shobhit S. Chaturvedi

, Nicolai Lehnert

, Christopher J. Schofield

, Christo Z. Christov

, Tatyana G. Karabencheva-Christova

Role of Structural Dynamics in Selectivity and Mechanism of Non-heme Fe(II) and 2-Oxoglutarate-Dependent Oxygenases Involved in DNA Repair

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Rajeev Ramanan

, Shobhit S. Chaturvedi

, Nicolai Lehnert

, Christopher J. Schofield

, Tatyana G. Karabencheva-Christova

, Christo Z. Christov

Catalysis By the JmjC Histone Demethylase KDM4A Integrates Substrate Dynamics, Correlated Motions and Molecular Orbital Control

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2019 Shobhit S. Chaturvedi

, Rajeev Ramanan

, Nicolai Lehnert

, Christopher J. Schofield

, Tatyana G. Karabencheva-Christova

, Christo Z. Christov

Catalysis by the Non-Heme Iron(II) Histone Demethylase PHF8 Involves Iron Center Rearrangement and Conformational Modulation of Substrate Orientation

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Shobhit S. Chaturvedi

, Rajeev Ramanan

, Sodiq O. Waheed

, Jon Ainsley

, Martin Evison

, Jennifer M. Ames, Christopher J. Schofield

, Tatyana G. Karabencheva‐Christova

, Christo Z. Christov

Conformational Dynamics Underlies Different Functions of Human KDM7 Histone Demethylases

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Sodiq O. Waheed

, Rajeev Ramanan

, Shobhit S. Chaturvedi

, Jon Ainsley, Martin Evison

, Jennifer M. Ames, Christopher J. Schofield

, Christo Z. Christov

, Tatyana G. Karabencheva-Christova

Conformational flexibility influences structure–function relationships in nucleic acidN-methyl demethylases

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Shobhit S. Chaturvedi

, Rajeev Ramanan, Sodiq O. Waheed, Tatyana G. Karabencheva-Christova, Christo Z. Christov

Structure-function relationships in KDM7 histone demethylases

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2018 Jon Ainsley

, Shobhit S. Chaturvedi

, Tatyana G. Karabencheva-Christova

, Marina Tanasova

, Christo Z. Christov

Integrating molecular probes and molecular dynamics to reveal binding modes of GLUT5 activatory and inhibitory ligands

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All papers authored by Shobhit S. Chaturvedi