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7 results in Authors: Sason Shaik

Theoretical and Computational Chemistry

Working Paper

[4Fe-4S]-mediated proton-coupled electron transfer enables the efficient degradation of chloroalkenes by reductive dehalogenases

Xuan Zhang, Zikuan Wang, Zhen Li, Sason Shaik, Binju Wang

Version 1 posted 30 November 2022

308

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Catalysis

Working Paper

MD Simulations and QM/MM Calculations Reveal the Key Mechanistic Ele-ments which are Responsible for the Efficient C-H Amination Reaction Per-formed by a Bioengineered P450 Enzyme

Surajit Kalita, Sason Shaik, Kshatresh Dubey

Version 1 posted 28 June 2021

416

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Catalysis

Working Paper

The Decarboxylation and Protonation Enigma in the H85Q Mutant of Cytochrome P450OleT

Shalini Yadav, Sason Shaik, Kshatresh Dubey

Version 1 posted 12 January 2023

226

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Theoretical and Computational Chemistry

Working Paper

Flavin-N5OOH: A powerful nucleophile and base in nature

Qiaoyu Zhang, Qianqian Chen, Sason Shaik, Binju Wang

Version 2 posted 17 November 2023

306

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Catalysis

Working Paper

A Porphyrin-Based Molecular Cage Guided by Designed Local-Electric Field Is Highly Selective and Efficient

Shakir Ali Siddiqui, Sason Shaik, Surajit Kalita, Kshatresh Dubey

Version 1 posted 29 August 2023

247

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Theoretical and Computational Chemistry

Working Paper

Origins of the Selective C−S Bond Formation by the Non-Heme Iron EgtB

Peng Wu, Yang Gu, Langxing Liao, Yanfei Wu, JiaoYu Jin, Zhanfeng Wang, Jiahai Zhou, Sason Shaik, Binju Wang

Version 1 posted 23 June 2022

417

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Catalysis

Working Paper

Local Electric Fields Dictate Function: The Different Product Selectivity Observed for Fatty Acids Oxidation by Two Deceptively Very Similar P450-Peroxygenases OleT and BSbeta

Shalini Yadav, Sason Shaik, Shakir Ali Siddiqui, Surajit Kalita, Kshatresh Dubey

Version 1 posted 29 June 2021

413

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7 results in Sason Shaik in Authors: Sason Shaik

[4Fe-4S]-mediated proton-coupled electron transfer enables the efficient degradation of chloroalkenes by reductive dehalogenases

MD Simulations and QM/MM Calculations Reveal the Key Mechanistic Ele-ments which are Responsible for the Efficient C-H Amination Reaction Per-formed by a Bioengineered P450 Enzyme

The Decarboxylation and Protonation Enigma in the H85Q Mutant of Cytochrome P450OleT

Flavin-N5OOH: A powerful nucleophile and base in nature

A Porphyrin-Based Molecular Cage Guided by Designed Local-Electric Field Is Highly Selective and Efficient

Origins of the Selective C−S Bond Formation by the Non-Heme Iron EgtB

Local Electric Fields Dictate Function: The Different Product Selectivity Observed for Fatty Acids Oxidation by Two Deceptively Very Similar P450-Peroxygenases OleT and BSbeta

7 results in Authors: Sason Shaik