Abdul Raafik Arattu Thodika

Employment

Employment history is unavailable.

Education

• The University of Texas at Arlington PhD
  2021 - 2025
• Indian Institute of Science Education and Research Pune MS
  2019 - 2020
• Indian Institute of Science Education and Research Pune BS
  2015 - 2020

Projects & Funding

Projects & funding information is unavailable.

Publications (9)

• Accurate and Time-Efficient Condensed-Phase Free Energy Simulations with Reaction Specific Δ-Machine Learning Potentials in CHARMM
  Journal of Chemical Theory and Computation 2026 DOI: 10.1021/acs.jctc.6c00798
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• Machine Learning Quantum Mechanical/Molecular Mechanical Potentials: Evaluating Transferability in Dihydrofolate Reductase-Catalyzed Reactions
  Journal of Chemical Theory and Computation 2025 DOI: 10.1021/acs.jctc.4c01487
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• Magnesium induced structural reorganization in the active site of adenylate kinase
  Science Advances 2024 DOI: 10.1126/sciadv.ado5504
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• CHARMM-GUI QM/MM Interfacer for a Quantum Mechanical and Molecular Mechanical (QM/MM) Simulation Setup: 1. Semiempirical Methods
  Journal of Chemical Theory and Computation 2024 DOI: 10.1021/acs.jctc.4c00439
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• Elucidating Dynamics of Adenylate Kinase from Enzyme Opening to Ligand Release
  Journal of Chemical Information and Modeling 2024 DOI: 10.1021/acs.jcim.3c01618
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• An atmospheric water electrolyzer for decentralized green hydrogen production
  Cell Reports Physical Science 2021 DOI: 10.1016/j.xcrp.2021.100627
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• Ambient Condition Alcohol Reforming to Hydrogen with Electricity Output
  ACS Sustainable Chemistry & Engineering 2021 DOI: 10.1021/acssuschemeng.0c07547
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• Coulombic Force Gated Molecular Transport in Redox Flow Batteries
  The Journal of Physical Chemistry Letters 2021 DOI: 10.1021/acs.jpclett.0c03584
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• A Redox‐Active Electrochemical Decoder
  Advanced Materials Technologies 2018 DOI: 10.1002/admt.201700337
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