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Biological and Medicinal Chemistry

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Theoretical and Computational Chemistry

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Murat Kılıç

3 results in Authors: Murat Kılıç

Theoretical and Computational Chemistry

Redox Properties of Flavin in BLUF and LOV Photoreceptor Proteins from Hybrid QM/MM Molecular Dynamics Simulation

Murat Kılıç, Bernd Ensing

Version 1 posted 14 September 2023

212

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Biological and Medicinal Chemistry

Redox-Based Defect Detection in Packed DNA: Insights from Hybrid Quantum Mechanical/Molecular Mechanics Molecular Dynamics Simulations

Murat Kılıç, Polydefkis Diamantis, Sophia K. Johnson, Oliver Toth, Ursula Rothlisberger

Version 2 posted 12 September 2023

287

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Theoretical and Computational Chemistry

A surrogate based genetic algorithm method for efficient identification of low-energy peptide structures

Justin Villard, Murat Kılıç, Ursula Rothlisberger

Version 1 posted 28 October 2022

229

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