Importance of model size in quantum mechanical studies of DNA intercalation-Reference-Cited by-同舟云学术

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Importance of model size in quantum mechanical studies of DNA intercalation

Published:2020-02-03 Issue:12 Volume:41 Page:1175-1184
ISSN:0192-8651
Container-title:Journal of Computational Chemistry
language:en
Short-container-title:J Comput Chem

Author:

Harding Drew P.¹²,Kingsley Laura J.³,Spraggon Glen³,Wheeler Steven E.¹^ORCID

Affiliation:

1. Center for Computational Quantum Chemistry, Department of Chemistry University of Georgia Athens Georgia

2. Department of Chemistry Texas A&M University College Station Texas

3. Genomics Institute of the Novartis Research Foundation San Diego California

Funder

National Science Foundation

Division of Chemistry

Publisher

Wiley

Subject

Computational Mathematics,General Chemistry

Link

https://onlinelibrary.wiley.com/doi/pdf/10.1002/jcc.26164

Reference68 articles.

1. DNA-Binding Small Molecules as Inhibitors of Transcription Factors

2. In vitro study of anticancer acridines as potential antitrypanosomal and antimalarial agents

3. Recent advances in small organic molecules as DNA intercalating agents: Synthesis, activity, and modeling

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1. Fast and Accurate Quantum Mechanical Modeling of Large Molecular Systems Using Small Basis Set Hartree–Fock Methods Corrected with Atom-Centered Potentials;Journal of Chemical Theory and Computation;2022-03-21

2. Hard and soft materials: putting consistent van der Waals density functionals to work;Electronic Structure;2022-01-12

3. Theoretical Investigation of the 4,5-Dibromorodamine Methyl Ester (TH9402) Photosensitizer Used in Photodynamic Therapy: Photophysics, Reactions in the Excited State, and Interactions with DNA;The Journal of Physical Chemistry B;2021-07-29

4. Significance and properties of the complex formation of phosphate and polyphosphate groups in particles present in living cells;Coordination Chemistry Reviews;2021-05

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