(Q35002073)

5 August 2017

title

An AIMD study of the CPD repair mechanism in water: reaction free energy surface and mechanistic implications (English)

1 reference

5 August 2017

Sherwin J Singer

3

0 references

author name string

Ali A Hassanali

series ordinal

1

1 reference

5 August 2017

Dongping Zhong

series ordinal

2

1 reference

5 August 2017

language of work or name

English

0 references

publication date

18 March 2011

1 reference

Journal of Physical Chemistry B

5 August 2017

published in

1 reference

5 August 2017

volume

115

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5 August 2017

issue

14

1 reference

5 August 2017

page(s)

3848-3859

1 reference

Gaussian basis sets for accurate calculations on molecular systems in gas and condensed phases.

5 August 2017

cites work

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3100802

Do photolyases need to provide considerable activation energy for the splitting of cyclobutane pyrimidine dimer radical anions?

8 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3100802

Thymine dimerization in DNA is an ultrafast photoreaction

8 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3100802

Computational studies of DNA photolyase

8 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3100802

Direct observation of thymine dimer repair in DNA by photolyase

8 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3100802

Powerful skin cancer protection by a CPD-photolyase transgene.

8 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3100802

Structure and function of DNA photolyase and cryptochrome blue-light photoreceptors

8 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3100802

The mechanism of action of DNA photolyases

8 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3100802

Cyclobutane pyrimidine dimers are responsible for the vast majority of mutations induced by UVB irradiation in mammalian cells

8 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3100802

Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density

8 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3100802

Density-functional exchange-energy approximation with correct asymptotic behavior

8 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3100802

Canonical dynamics: Equilibrium phase-space distributions

8 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3100802

Structure and function of DNA photolyase

8 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3100802

Solvent dependence of pyrimidine dimer splitting in a covalently linked dimer-indole system

8 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3100802

Origin of solvent dependence of photosensitized splitting of a cyclobutane pyrimidine dimer by a covalently linked chromophore.

8 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3100802

A QM/MM investigation of thymine dimer radical anion splitting catalyzed by DNA photolyase

26 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3100802

Interaction between thymine dimer and flavin-adenine dinucleotide: a DFT and direct ab initio molecular dynamics study

26 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3100802

Computational study of thymine dimer radical anion splitting in the self-repair process of duplex DNA.

26 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3100802

Ring opening of the cyclobutane in a thymine dimer radical anion

26 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3100802

Skin cancer: lights on genome lesions.

26 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3100802

Assessing the efficiency of free energy calculation methods

26 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3100802

Cis-syn thymidine dimer repair by DNA photolyase in real time.

26 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3100802

Efficient exploration of reactive potential energy surfaces using Car-Parrinello molecular dynamics

26 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3100802

DFT study of the [2+2] cycloreversion of uracil dimer anion radical: waters matter

26 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3100802

Ultrafast Deactivation Channel for Thymine Dimerization

26 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3100802

Separable dual-space Gaussian pseudopotentials

9 December 2018

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/21417374

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Optimized Monte Carlo data analysis

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/21417374

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Identifiers

DOI

10.1021/JP107722Z

1 reference

5 August 2017

1 reference

5 August 2017

1 reference