Abdul Raafik Arattu Thodika

4PUBLICATIONS
14CO-AUTHORS
Semi- and unsupervised learningSupramolecular chemistryFormal methods for softwareEnzymes
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Publications (4)

|Jan 15, 2025
Machine Learning Quantum Mechanical/Molecular Mechanical Potentials: Evaluating Transferability in Dihydrofolate Reductase-Catalyzed Reactions.

Abdul Raafik Arattu Thodika, Xiaoliang Pan, Yihan Shao

|Aug 09, 2024
Magnesium induced structural reorganization in the active site of adenylate kinase.

Kwangho Nam, Abdul Raafik Arattu Thodika, Sonja Tischlik

|Jun 10, 2024
CHARMM-GUI QM/MM Interfacer for a Quantum Mechanical and Molecular Mechanical (QM/MM) Simulation Setup: 1. Semiempirical Methods.

Donghyuk Suh, Abdul Raafik Arattu Thodika, Seonghoon Kim

|Dec 20, 2023
Elucidating Dynamics of Adenylate Kinase from Enzyme Opening to Ligand Release.

Kwangho Nam, Abdul Raafik Arattu Thodika, Christin Grundström

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Frequent Collaborators

4 joint publications

Kwangho Nam

2 joint publications

Magnus Wolf-Watz

1 joint publications

Donghyuk Suh

1 joint publications

Seonghoon Kim