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Quantum‐based Modeling of Protein‐ligand Interaction: The Complex of RutA with Uracil and Molecular Oxygen.
- Published in:
- Molecular Informatics, 2023, v. 42, n. 2, p. 1, doi. 10.1002/minf.202200175
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- Article
Modeling Light-Induced Chromophore Hydration in the Reversibly Photoswitchable Fluorescent Protein Dreiklang.
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- Molecules, 2023, v. 28, n. 2, p. 505, doi. 10.3390/molecules28020505
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- Article
Computational Characterization of Reaction Intermediates in the Photocycle of the Sensory Domain of the AppA Blue Light Photoreceptor.
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- Photochemistry & Photobiology, 2011, v. 87, n. 3, p. 564, doi. 10.1111/j.1751-1097.2010.00861.x
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- Article
Analysis of proton wires in the enzyme active site suggests a mechanism of c-di-GMP hydrolysis by the EAL domain phosphodiesterases.
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- Proteins, 2016, v. 84, n. 11, p. 1670, doi. 10.1002/prot.25108
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- Article
Why does mutation of Gln61 in Ras by the nitro analog NGln maintain activity of Ras- GAP in hydrolysis of guanosine triphosphate?
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- Proteins, 2015, v. 83, n. 11, p. 2091, doi. 10.1002/prot.24927
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- Article
Mechanisms of guanosine triphosphate hydrolysis by Ras and Ras-GAP proteins as rationalized by ab initio QM/MM simulations.
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- Proteins, 2007, v. 66, n. 2, p. 456, doi. 10.1002/prot.21228
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- Article
QM/MM modeling the Ras-GAP catalyzed hydrolysis of guanosine triphosphate.
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- Proteins, 2005, v. 60, n. 3, p. 495, doi. 10.1002/prot.20472
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- Article
Optimization of Cholinesterase-Based Catalytic Bioscavengers Against Organophosphorus Agents.
- Published in:
- Frontiers in Pharmacology, 2018, p. 1, doi. 10.3389/fphar.2018.00211
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- Article