(Q38312350)

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:24065071%20AND%20SRC:MED&resulttype=core&format=json

23 February 2020

title

B-DNA characteristics are preserved in double stranded d(A)3·d(T)3 and d(G)3·d(C)3 mini-helixes: conclusions from DFT/M06-2X study (English)

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:24065071%20AND%20SRC:MED&resulttype=core&format=json

23 February 2020

1

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:24065071%20AND%20SRC:MED&resulttype=core&format=json

23 February 2020

Dmytro M. Hovorun

series ordinal

4

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:24065071%20AND%20SRC:MED&resulttype=core&format=json

23 February 2020

5

Jerzy Leszczynski

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:24065071%20AND%20SRC:MED&resulttype=core&format=json

23 February 2020

author name string

Oleg V Shishkin

series ordinal

2

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:24065071%20AND%20SRC:MED&resulttype=core&format=json

23 February 2020

Leonid Gorb

series ordinal

3

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:24065071%20AND%20SRC:MED&resulttype=core&format=json

23 February 2020

language of work or name

English

0 references

publication date

1 November 2013

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:24065071%20AND%20SRC:MED&resulttype=core&format=json

Physical Chemistry Chemical Physics

23 February 2020

published in

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:24065071%20AND%20SRC:MED&resulttype=core&format=json

23 February 2020

volume

15

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:24065071%20AND%20SRC:MED&resulttype=core&format=json

23 February 2020

issue

41

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:24065071%20AND%20SRC:MED&resulttype=core&format=json

23 February 2020

page(s)

18155-18166

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:24065071%20AND%20SRC:MED&resulttype=core&format=json

Molecular Structure of Nucleic Acids: A Structure for Deoxyribose Nucleic Acid

23 February 2020

cites work

1 reference

https://api.crossref.org/works/10.1039%2FC3CP51584B

STRUCTURAL STUDIES WITH X-RAYS.

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC3CP51584B

B-DNA structure is intrinsically polymorphic: even at the level of base pair positions

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC3CP51584B

Conformational flexibility of B-DNA at 0.74 A resolution: d(CCAGTACTGG)(2)

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC3CP51584B

Allosteric modulation of DNA by small molecules

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC3CP51584B

Modelling extreme stretching of DNA.

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC3CP51584B

Molecular dynamics simulations of duplex stretching reveal the importance of entropy in determining the biomechanical properties of DNA.

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC3CP51584B

Structure and energy of a DNA dodecamer under tensile load

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC3CP51584B

Stretched DNA investigated using molecular-dynamics and quantum-mechanical calculations.

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC3CP51584B

Molecular dynamics simulations of biomolecules

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC3CP51584B

A systematic molecular dynamics study of nearest-neighbor effects on base pair and base pair step conformations and fluctuations in B-DNA.

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC3CP51584B

Tautomeric equilibrium, stability, and hydrogen bonding in 2'-deoxyguanosine monophosphate complexed with Mg2+.

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC3CP51584B

Novel view on the mechanism of water-assisted proton transfer in the DNA bases: bulk water hydration.

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC3CP51584B

Molecular dynamics simulations of Guanine quadruplex loops: advances and force field limitations

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC3CP51584B

Molecular dynamics simulations of the 136 unique tetranucleotide sequences of DNA oligonucleotides. I. Research design and results on d(CpG) steps

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC3CP51584B

Molecular dynamics simulations of the 136 unique tetranucleotide sequences of DNA oligonucleotides. II: sequence context effects on the dynamical structures of the 10 unique dinucleotide steps

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC3CP51584B

Molecular dynamics and quantum mechanics of RNA: conformational and chemical change we can believe in

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC3CP51584B

Intercalators. 1. Nature of stacking interactions between intercalators (ethidium, daunomycin, ellipticine, and 4',6-diaminide-2-phenylindole) and DNA base pairs. Ab initio quantum chemical, density functional theory, and empirical potential study

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC3CP51584B

Molecular dynamics simulations and thermodynamics analysis of DNA-drug complexes. Minor groove binding between 4',6-diamidino-2-phenylindole and DNA duplexes in solution

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC3CP51584B

Are isolated nucleic acid bases really planar? A Car-Parrinello molecular dynamics study.

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC3CP51584B

Tautomeric equilibrium of uracil and thymine in model protein-nucleic acid contacts. Spectroscopic and quantum chemical approach.

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC3CP51584B

Intramolecular hydrogen bonds in canonical 2'-deoxyribonucleotides: an atoms in molecules study

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC3CP51584B

Ionization energies of aqueous nucleic acids: photoelectron spectroscopy of pyrimidine nucleosides and ab initio calculations

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC3CP51584B

How many conformers determine the thymidine low-temperature matrix infrared spectrum? DFT and MP2 quantum chemical study

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC3CP51584B

Comment on “Theoretical Study of Polaron Formation in Poly(G)–Poly(C) Cations”

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC3CP51584B

DFT study of B-like conformations of deoxydinucleoside monophosphates containing Gua and/or Cyt and their complexes with Na+ cation

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC3CP51584B

Electronic structure of wet DNA.

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC3CP51584B

3DNA: a software package for the analysis, rebuilding and visualization of three-dimensional nucleic acid structures

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC3CP51584B

Charges of phosphate groups. A role in stabilization of 2'-deoxyribonucleotides. A DFT investigation

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC3CP51584B

Conformational analysis of canonical 2-deoxyribonucleotides. 1. Pyrimidine nucleotides

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC3CP51584B

Conformational analysis of canonical 2-deoxyribonucleotides. 2. Purine nucleotides

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC3CP51584B

Properties of the nucleic-acid bases in free and Watson-Crick hydrogen-bonded states: computational insights into the sequence-dependent features of double-helical DNA

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC3CP51584B

Reference MP2/CBS and CCSD(T) quantum-chemical calculations on stacked adenine dimers. Comparison with DFT-D, MP2.5, SCS(MI)-MP2, M06-2X, CBS(SCS-D) and force field descriptions

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC3CP51584B

On the Structure and Geometry of Biomolecular Binding Motifs (Hydrogen-Bonding, Stacking, X-H···π): WFT and DFT Calculations

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC3CP51584B

The calculation of small molecular interactions by the differences of separate total energies. Some procedures with reduced errors

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC3CP51584B

Structure and mechanism of DNA polymerase Beta.

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC3CP51584B

Characterization of noncovalent complexes formed between minor groove binding molecules and duplex DNA by electrospray ionization-mass spectrometry

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC3CP51584B

Analysis of noncovalent complexes of DNA and RNA by mass spectrometry

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC3CP51584B

Interaction between antitumor drugs and a double-stranded oligonucleotide studied by electrospray ionization mass spectrometry

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC3CP51584B

Activation energies for dissociation of double strand oligonucleotide anions: evidence for watson-crick base pairing in vacuo

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC3CP51584B

Evaluation of complexation of metal-mediated DNA-binding drugs to oligonucleotides via electrospray ionization mass spectrometry

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC3CP51584B

The DNA and RNA sugar-phosphate backbone emerges as the key player. An overview of quantum-chemical, structural biology and simulation studies

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC3CP51584B

An analysis of the different behavior of DNA and RNA through the study of the mutual relationship between stacking and hydrogen bonding

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC3CP51584B

A standard reference frame for the description of nucleic acid base-pair geometry.

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC3CP51584B

Conformations of the sugar-phosphate backbone in helical DNA crystal structures

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC3CP51584B

3D-DART: a DNA structure modelling server

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC3CP51584B

New insight on structural properties of hydrated nucleic acid bases from ab initio molecular dynamics.

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC3CP51584B

RNA double-helical fragments at atomic resolution. I. The crystal and molecular structure of sodium adenylyl-3',5'-uridine hexahydrate

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC3CP51584B

Dependence of deformability of geometries and characteristics of intramolecular hydrogen bonds in canonical 2'-deoxyribonucleotides on DNA conformations

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC3CP51584B

Double-proton transfer in adenine-thymine and guanine-cytosine base pairs. A post-Hartree-Fock ab initio study

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC3CP51584B

True stabilization energies for the optimal planar hydrogen-bonded and stacked structures of guanine...cytosine, adenine...thymine, and their 9- and 1-methyl derivatives: complete basis set calculations at the MP2 and CCSD(T) levels and comparison w

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC3CP51584B

The M06 suite of density functionals for main group thermochemistry, thermochemical kinetics, noncovalent interactions, excited states, and transition elements: two new functionals and systematic testing of four M06-class functionals and 12 other fun

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC3CP51584B

An ab initio study of the interaction of DNA fragments with methyllithium

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC3CP51584B

Effect of Counterions on the Protonation State in a Poly(G)–Poly(C) Radical Cation

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC3CP51584B

Structures and Energies of Hydrogen-Bonded DNA Base Pairs. A Nonempirical Study with Inclusion of Electron Correlation

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC3CP51584B

Nature of Nucleic Acid−Base Stacking: Nonempirical ab Initio and Empirical Potential Characterization of 10 Stacked Base Dimers. Comparison of Stacked and H-Bonded Base Pairs

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC3CP51584B

Interaction between the Guanine−Cytosine Watson−Crick DNA Base Pair and Hydrated Group IIa (Mg2+, Ca2+, Sr2+, Ba2+) and Group IIb (Zn2+, Cd2+, Hg2+) Metal Cations

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC3CP51584B

Double Proton Coupled Charge Transfer in DNA

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC3CP51584B

Accurate Interaction Energies of Hydrogen-Bonded Nucleic Acid Base Pairs

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC3CP51584B

Intramolecular flexibility of DNA bases in adenine–thymine and guanine–cytosine Watson–Crick base pairs

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC3CP51584B