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University of Bristol profile

Other IDs

Scopus Author ID: 57436863500
Loop profile: 1877120

Keywords

Electric Field, Catalysis, Enzyme Design, MD Simulation, QM/MM

Countries

India, United Kingdom

Activities

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Employment (3)

University of Bristol: Bristol, GB

2024-10-01 to present | Postdoctoral Associate (Chemistry)
Employment
Source: Self-asserted source
Shakir Ali Siddiqui

The University of Bristol: Bristol, GB

2024-10-01 to present | Academic , Research Associate (School of Chemistry)
Employment
Source: check_circle
University of Bristol - PURE

Shiv Nadar University: Delhi-NCR, Uttar Pradesh, IN

2020-08-17 to 2024-09 | Ph.D. Research Scholar (Department of Chemistry)
Employment
Source: Self-asserted source
Shakir Ali Siddiqui

Education and qualifications (1)

Shiv Nadar University: Delhi-NCR, Uttar Pradesh, IN

2020-08-17 to present | Ph.D. Research Scholar (Department of Chemistry)
Qualification
Source: Self-asserted source
Shakir Ali Siddiqui

Works (10)

The Role of the Carbonyl Group in C–C Triple Bond Cleavage of Ynones via Grob-Type Fragmentation under Acidic Conditions

The Journal of Organic Chemistry
2025-03-14 | Journal article
DOI: 10.1021/acs.joc.4c02800
Contributors: Asrar Ahmad; Shakir Ali Siddiqui; Priya Tyagi; Lokesh Gupta; Kshatresh Dutta Dubey; Ajoy Kapat
Source: check_circle
Crossref

Synthesis ADMET molecular docking, MD simulation and MM-PBSA investigations of a novel hetero-steroid with Anti-proliferative and Anti-inflammatory properties

Journal of Molecular Structure
2025-02 | Journal article
DOI: 10.1016/j.molstruc.2024.139783
Contributors: Sangeeta Srivastava; Saumya Pandey; Anant Kumar; Shakir Ali Siddiqui; Kshatresh Dutta Dubey
Source: check_circle
Crossref

Designed CYP450 Scaffold That Possesses a Local Electric Field Biodegrades Polyethylene Terephthalate

ACS Catalysis
2024-10-18 | Journal article
DOI: 10.1021/acscatal.4c05363
Contributors: Shakir Ali Siddiqui; Sason Shaik; Kshatresh Dutta Dubey
Source: check_circle
Crossref

Understanding the Functional Dynamics of the TokK Enzyme in Carbapenem Biosynthesis via MD Simulations and QM/MM Calculations

Inorganic Chemistry
2024-10-07 | Journal article
DOI: 10.1021/acs.inorgchem.4c03321
Contributors: Shakir Ali Siddiqui; Kshatresh Dutta Dubey
Source: check_circle
Crossref

A porphyrin-based molecular cage guided by designed local-electric field is highly selective and efficient

Chemical Science
2023 | Journal article
DOI: 10.1039/D3SC01720F
Contributors: Shakir Ali Siddiqui; Sason Shaik; Surajit Kalita; Kshatresh Dutta Dubey
Source: check_circle
Crossref

Designed Local Electric Fields─Promising Tools for Enzyme Engineering

JACS Au
2023-12-25 | Journal article
DOI: 10.1021/jacsau.3c00536
Contributors: Shakir Ali Siddiqui; Thijs Stuyver; Sason Shaik; Kshatresh Dutta Dubey
Source: check_circle
Crossref

Design and Synthesis of Co‐initiators via Base‐Catalysed Sequential Conjugate Addition: Application in Photoinduced Radical Polymerisation Reaction

Chemistry – A European Journal
2023-10-13 | Journal article
DOI: 10.1002/chem.202301844
Contributors: Asrar Ahmad; Shakir Ali Siddiqui; Garvisha Mittal; N. Sukumar; Kshatresh Dutta Dubey; Ajoy Kapat
Source: check_circle
Crossref

Can the local electric field be a descriptor of catalytic activity? A case study on chorismate mutase

Physical Chemistry Chemical Physics
2022 | Journal article
DOI: 10.1039/D1CP03978D
Contributors: Shakir Ali Siddiqui; Kshatresh Dutta Dubey
Source: check_circle
Crossref

Unraveling key interactions and the mechanism of demethylation during hAGT-mediated DNA repair via simulations

Frontiers in Molecular Biosciences
2022-09-14 | Journal article
DOI: 10.3389/fmolb.2022.975046
Part of ISSN: 2296-889X
Contributors: Shakir Ali Siddiqui; Shruti TG; Kshatresh Dutta Dubey
Source: Self-asserted source
Shakir Ali Siddiqui

Local Electric Fields Dictate Function: The Different Product Selectivities Observed for Fatty Acid Oxidation by Two Deceptively Very Similar P450-Peroxygenases OleT and BSβ

Journal of Chemical Information and Modeling
2022-02-28 | Journal article
DOI: 10.1021/acs.jcim.1c01453
Contributors: Shalini Yadav; Sason Shaik; Shakir Ali Siddiqui; Surajit Kalita; Kshatresh Dutta Dubey
Source: check_circle
Crossref
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