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Murat Kiliç

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Related units (1)

Laboratory of Computational Chemistry and Biochemistry

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Related publications (9)

Please note that this is not a complete list of this person’s publications. It includes only semantically relevant works. For a full list, please refer to Infoscience.

Surrogate Based Genetic Algorithm Method for Efficient Identification of Low-Energy Peptide Structures

Ursula Röthlisberger, Justin Villard, Murat Kiliç

Identification of the most stable structure(s) of a system is a prerequisite for the calculation of any of its properties from first-principles. However, even for relatively small molecules, exhaustive explorations of the potential energy surface (PES) are ...

AMER CHEMICAL SOC2023

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

Ursula Röthlisberger, Polydefkis Diamantis, Murat Kiliç

The impact of an 8-oxoguanine (8oxoG) defect on the redox properties of DNA within the nucleosome core particle (NCP) was investigated employing hybrid quantum mechanical/molecular mechanics (QM/MM) molecular dynamics simulations of native and 8oxoG-contai ...

Amer Chemical Soc2023

Atom-by-Atom Synthesis of Multiatom-Supported Catalytic Clusters by Liquid-Phase Atomic Layer Deposition

Mounir Driss Mensi, Ursula Röthlisberger, Jeremy Luterbacher, Benjamin Pierre Le Monnier, Claudia Esther Avalos, Murat Kiliç

Here, we introduce a method for the synthesis of atomically precise, supported, multiatom catalysts by liquid-phase atomic layer deposition. This technique is based on consecutive grafting reactions in mild conditions that build supported active sites atom ...

2022