Literature DB >> 19331336

Solvent reorganization energy of hole transfer in DNA.

Tomás Kubar1, Marcus Elstner.   

Abstract

We present an application of a molecular-dynamics-based scheme to evaluate the solvent reorganization energy of hole transfer in DNA. The obtained parameters can be used for simulations of hole transfer in DNA by means of Marcus' theory. Also, we perform an analysis of the reorganization energies, including the case of transfer of a delocalized hole.

Mesh：

Substances：

Year:  2009        PMID： 19331336     DOI： 10.1021/jp901888r

Source DB:  PubMed          Journal:  J Phys Chem B        ISSN： 1520-5207            Impact factor:   2.991


  11 in total

Review 1.  A hybrid approach to simulation of electron transfer in complex molecular systems.

Authors:  Tomáš Kubař; Marcus Elstner
Journal:  J R Soc Interface       Date:  2013-07-24       Impact factor: 4.118

2.  Full-electron calculation of effective electronic couplings and excitation energies of charge transfer states: Application to hole transfer in DNA pi-stacks.

Authors:  Agostino Migliore
Journal:  J Chem Phys       Date:  2009-09-21       Impact factor: 3.488

3.  Density functional theory studies of the extent of hole delocalization in one-electron oxidized adenine and guanine base stacks.

Authors:  Anil Kumar; Michael D Sevilla
Journal:  J Phys Chem B       Date:  2011-03-21       Impact factor: 2.991

4.  Charge Transfer between [4Fe4S] Proteins and DNA Is Unidirectional: Implications for Biomolecular Signaling.

Authors:  Ruijie D Teo; Benjamin J G Rousseau; Elizabeth R Smithwick; Rosa Di Felice; David N Beratan; Agostino Migliore
Journal:  Chem       Date:  2018-10-25       Impact factor: 22.804

5.  Biological charge transfer via flickering resonance.

Authors:  Yuqi Zhang; Chaoren Liu; Alexander Balaeff; Spiros S Skourtis; David N Beratan
Journal:  Proc Natl Acad Sci U S A       Date:  2014-06-25       Impact factor: 11.205

Review 6.  Mechanisms for DNA charge transport.

Authors:  Joseph C Genereux; Jacqueline K Barton
Journal:  Chem Rev       Date:  2010-03-10       Impact factor: 60.622

7.  Mapping hole hopping escape routes in proteins.

Authors:  Ruijie D Teo; Ruobing Wang; Elizabeth R Smithwick; Agostino Migliore; Michael J Therien; David N Beratan
Journal:  Proc Natl Acad Sci U S A       Date:  2019-07-24       Impact factor: 11.205

8.  2'-Deoxy-2'-fluoro-arabinonucleic acid: a valid alternative to DNA for biotechnological applications using charge transport.

Authors:  Ruijie D Teo; Elizabeth R Smithwick; Agostino Migliore
Journal:  Phys Chem Chem Phys       Date:  2019-10-24       Impact factor: 3.676

9.  Nucleic Acid Charge Transfer: Black, White and Gray.

Authors:  Ravindra Venkatramani; Shahar Keinan; Alexander Balaeff; David N Beratan
Journal:  Coord Chem Rev       Date:  2011-04-01       Impact factor: 22.315

10.  First principles effective electronic couplings for hole transfer in natural and size-expanded DNA.

Authors:  Agostino Migliore; Stefano Corni; Daniele Varsano; Michael L Klein; Rosa Di Felice
Journal:  J Phys Chem B       Date:  2009-07-16       Impact factor: 2.991
View more

北京卡尤迪生物科技股份有限公司 © 2022-2023.