Redox-Based Defect Detection in Packed DNA: Insights from Hybrid Quantum Mechanical/Molecular Mechanics Molecular Dynamics Simulations-Reference-Cited by-同舟云学术

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

Published:2023-11-14 Issue:22 Volume:19 Page:8434-8445
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Kılıç Murat¹^ORCID,Diamantis Polydefkis¹^ORCID,Johnson Sophia K.¹^ORCID,Toth Oliver¹,Rothlisberger Ursula¹^ORCID

Affiliation:

1. Laboratory of Computational Chemistry and Biochemistry, Institute of Chemical Sciences and Engineering, École Polytechnique Fédérale de Lausanne (EPFL), CH-1015 Lausanne, Switzerland

Funder

Schweizerischer Nationalfonds zur F?rderung der Wissenschaftlichen Forschung

Partnership for Advanced Computing in Europe AISBL

Centro Svizzero di Calcolo Scientifico

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.3c01013

Reference104 articles.

1. Oxidative DNA damage & repair: An introduction

2. Oxidative DNA damage: mechanisms, mutation, and disease

3. Role of oxidative stress and DNA damage in human carcinogenesis

4. Ionization potentials and donor properties of nucleic acid bases and related compounds

5. Theoretical Determination of One-Electron Redox Potentials for DNA Bases, Base Pairs, and Stacks

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1. What tunes guanine ionization potential in a nucleosome? An all-in-one systematic QM/MM assessment;Biophysical Journal;2024-07

2. Oxidative Defect Detection Within Free and Packed DNA Systems: A Quantum Mechanical/Molecular Mechanics (QM/ MM) Approach;CHIMIA;2024-04-24

3. DNA damage and repair in the nucleosome: insights from computational methods;Biophysical Reviews;2024-03-12