The DNA and RNA sugar-phosphate backbone emerges as the key player. An overview of quantum-chemical, structural biology and simulation studies (Q38052698)

From Wikidata

Jump to navigation Jump to search

scientific article published on 16 October 2012

Language	Label	Description	Also known as
English	The DNA and RNA sugar-phosphate backbone emerges as the key player. An overview of quantum-chemical, structural biology and simulation studies	scientific article published on 16 October 2012

Statements

scholarly article

1 reference

Europe PubMed Central

PubMed publication ID

27 August 2017

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

1 reference

Europe PubMed Central

PubMed publication ID

27 August 2017

structural biology

1 reference

based on heuristic

inferred from title

quantum biology

1 reference

based on heuristic

inferred from title

8

1 reference

Europe PubMed Central

PubMed publication ID

27 August 2017

object named as

Daniel Svozil

4

0 references

6

object named as

Pavel Banáš

1 reference

Europe PubMed Central

PubMed publication ID

27 August 2017

1

object named as

Jiří Šponer

1 reference

Europe PubMed Central

PubMed publication ID

27 August 2017

author name string

Arnošt Mládek

2

1 reference

Europe PubMed Central

PubMed publication ID

27 August 2017

Judit E Šponer

3

1 reference

Europe PubMed Central

PubMed publication ID

27 August 2017

Marie Zgarbová

5

1 reference

Europe PubMed Central

PubMed publication ID

27 August 2017

Petr Jurečka

7

1 reference

Europe PubMed Central

PubMed publication ID

27 August 2017

language of work or name

0 references

publication date

16 October 2012

1 reference

Europe PubMed Central

PubMed publication ID

27 August 2017

Physical Chemistry Chemical Physics

1 reference

Europe PubMed Central

PubMed publication ID

27 August 2017

14

1 reference

Europe PubMed Central

PubMed publication ID

27 August 2017

44

1 reference

Europe PubMed Central

PubMed publication ID

27 August 2017

15257-15277

1 reference

Europe PubMed Central

PubMed publication ID

27 August 2017

The DNA Helix and How it is Read

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

Working the kinks out of nucleosomal DNA

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

Quadruplex DNA: sequence, topology and structure

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

Prediction of RNA secondary structure by free energy minimization

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

The UA_handle: a versatile submotif in stable RNA architectures

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

The non-Watson-Crick base pairs and their associated isostericity matrices

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

Recurrent structural RNA motifs, Isostericity Matrices and sequence alignments

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

Quantum chemical studies of nucleic acids: can we construct a bridge to the RNA structural biology and bioinformatics communities?

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

Classification and energetics of the base-phosphate interactions in RNA

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

RNA structure: reading the ribosome

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

Electronic properties, hydrogen bonding, stacking, and cation binding of DNA and RNA bases

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

Nature and magnitude of aromatic stacking of nucleic acid bases

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

RNA backbone is rotameric

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

RNA backbone: consensus all-angle conformers and modular string nomenclature (an RNA Ontology Consortium contribution)

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

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

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

DNA conformations and their sequence preferences.

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

Impact of 2'-hydroxyl sampling on the conformational properties of RNA: update of the CHARMM all-atom additive force field for RNA.

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

Extensive molecular dynamics simulations showing that canonical G8 and protonated A38H+ forms are most consistent with crystal structures of hairpin ribozyme

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

Refinement of the AMBER force field for nucleic acids: improving the description of alpha/gamma conformers

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

Refinement of the Cornell et al. Nucleic Acids Force Field Based on Reference Quantum Chemical Calculations of Glycosidic Torsion Profiles

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

DNA bending: the prevalence of kinkiness and the virtues of normality

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

Two distinct modes of protein-induced bending in DNA.

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

DNA sequence-dependent deformability deduced from protein-DNA crystal complexes

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

Use of a 3D structure data base for understanding sequence-dependent conformational aspects of DNA.

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

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

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

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

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

NMR spectroscopy of RNA.

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

PROSIT: pseudo-rotational online service and interactive tool, applied to a conformational survey of nucleosides and nucleotides.

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

Structure of the B-DNA decamer C-C-A-A-C-G-T-T-G-G and comparison with isomorphous decamers C-C-A-A-G-A-T-T-G-G and C-C-A-G-G-C-C-T-G-G

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

Helix geometry and hydration in an A-DNA tetramer: IC-C-G-G

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

Alpha/gamma transitions in the B-DNA backbone

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

Reference simulations of noncanonical nucleic acids with different χ variants of the AMBER force field: quadruplex DNA, quadruplex RNA and Z-DNA.

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

Crystal structure of parallel quadruplexes from human telomeric DNA

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

Single Stranded Loops of Quadruplex DNA As Key Benchmark for Testing Nucleic Acids Force Fields

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

Protein-DNA interactions: A structural analysis

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

A-form conformational motifs in ligand-bound DNA structures

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

Protein-DNA interaction. No code for recognition

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

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

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

Nuance in the double-helix and its role in protein-DNA recognition.

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

RNA conformational classes

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

RNA structure comparison, motif search and discovery using a reduced representation of RNA conformational space

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

The crystal structure of a 26-nucleotide RNA containing a hook-turn

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

Stepping through an RNA structure: A novel approach to conformational analysis

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

Automated identification of RNA conformational motifs: theory and application to the HM LSU 23S rRNA.

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

Statistical analysis of RNA backbone

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

Nonparametric clustering for studying RNA conformations

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

Theoretical studies of RNA catalysis: hybrid QM/MM methods and their comparison with MD and QM.

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

Structure and dynamics of the ApA, ApC, CpA, and CpC RNA dinucleoside monophosphates resolved with NMR scalar spin-spin couplings.

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

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

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

Calculation of structural behavior of indirect NMR spin-spin couplings in the backbone of nucleic acids.

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

Cations and hydration in catalytic RNA: molecular dynamics of the hepatitis delta virus ribozyme

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

Intrinsic contribution of the 2'-hydroxyl to RNA conformational heterogeneity

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

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

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

Intramolecular basis set superposition error effects on the planarity of benzene and other aromatic molecules: a solution to the problem

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

Enthalpy difference between conformations of normal alkanes: Intramolecular basis set superposition error (BSSE) in the case of n-butane and n-hexane

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

Evaluation of the intramolecular basis set superposition error in the calculations of larger molecules: [n]helicenes and Phe-Gly-Phe tripeptide.

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

On the Correlation Problem in Atomic and Molecular Systems. Calculation of Wavefunction Components in Ursell‐Type Expansion Using Quantum‐Field Theoretical Methods

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

Correlation Problems in Atomic and Molecular Systems. IV. Extended Coupled-Pair Many-Electron Theory and Its Application to the B H 3 Molecule

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

Coupled-cluster theory in quantum chemistry

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

Scaled MP3 non-covalent interaction energies agree closely with accurate CCSD(T) benchmark data

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

Improvement of the coupled-cluster singles and doubles method via scaling same- and opposite-spin components of the double excitation correlation energy.

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

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

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

A Second Generation Force Field for the Simulation of Proteins, Nucleic Acids, and Organic Molecules

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

Optimization of the CHARMM additive force field for DNA: Improved treatment of the BI/BII conformational equilibrium.

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

A Novel Approach for Deriving Force Field Torsion Angle Parameters Accounting for Conformation-Dependent Solvation Effects.

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

Generalized Gradient Approximation Made Simple

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

Density functional theory augmented with an empirical dispersion term. Interaction energies and geometries of 80 noncovalent complexes compared withab initioquantum mechanics calculations

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

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

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

Geometrical and electronic structure variability of the sugar-phosphate backbone in nucleic acids

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

Accurate description of van der Waals complexes by density functional theory including empirical corrections

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

A new local density functional for main-group thermochemistry, transition metal bonding, thermochemical kinetics, and noncovalent interactions

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

Density-functional thermochemistry. III. The role of exact exchange

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

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

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

Exploring the Limit of Accuracy of the Global Hybrid Meta Density Functional for Main-Group Thermochemistry, Kinetics, and Noncovalent Interactions

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

A Bacterium That Can Grow by Using Arsenic Instead of Phosphorus

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

Impact of arsenic/phosphorus substitution on the intrinsic conformational properties of the phosphodiester backbone of DNA investigated using ab initio quantum mechanical calculations.

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

Kinetics and thermodynamics of the formation of glucose arsenate. Reaction of glucose arsenate with phosphoglucomutase

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

The time required for water attack at the phosphorus atom of simple phosphodiesters and of DNA

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

Backbone modification of nucleic acids: synthesis, structure and therapeutic applications.

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

Synthetic genetic polymers capable of heredity and evolution

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

Chemical etiology of nucleic acid structure: the alpha-threofuranosyl-(3'-->2') oligonucleotide system

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

A simple glycol nucleic acid

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

Solution structure of a HNA-RNA hybrid

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

Sequence-selective recognition of DNA by strand displacement with a thymine-substituted polyamide

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

A nucleic acid triple helix formed by a peptide nucleic acid-DNA complex

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

How does hydroxyl introduction influence the double helical structure: the stabilization of an altritol nucleic acid:ribonucleic acid duplex

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

Orientation preferences of backbone secondary amide functional groups in peptide nucleic acid complexes: quantum chemical calculations reveal an intrinsic preference of cationic D-amino acid-based chiral PNA analogues for the P-form.

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

The kink-turn: a new RNA secondary structure motif

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

Hinge-like motions in RNA kink-turns: the role of the second a-minor motif and nominally unpaired bases

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

The common and the distinctive features of the bulged-G motif based on a 1.04 A resolution RNA structure

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

Crystal structure of the ribosomal RNA domain essential for binding elongation factors

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

The two faces of the Escherichia coli 23 S rRNA sarcin/ricin domain: the structure at 1.11 A resolution

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

A common motif organizes the structure of multi-helix loops in 16 S and 23 S ribosomal RNAs

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

The RNA backbone plays a crucial role in mediating the intrinsic stability of the GpU dinucleotide platform and the GpUpA/GpA miniduplex

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

Molecular dynamics simulations of sarcin-ricin rRNA motif.

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

Understanding the Sequence Preference of Recurrent RNA Building Blocks using Quantum Chemistry: The Intrastrand RNA Dinucleotide Platform

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

The chemical versatility of RNA

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

The chemical origins of life and its early evolution: an introduction

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

Modulating RNA structure and catalysis: lessons from small cleaving ribozymes

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

QM/MM studies of hairpin ribozyme self-cleavage suggest the feasibility of multiple competing reaction mechanisms

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

Electrostatic interactions in the hairpin ribozyme account for the majority of the rate acceleration without chemical participation by nucleobases

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

Quantum mechanical/molecular mechanical simulation study of the mechanism of hairpin ribozyme catalysis

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

Autolytic processing of dimeric plant virus satellite RNA

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

A site-specific self-cleavage reaction performed by a novel RNA in Neurospora mitochondria

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

Control of gene expression by a natural metabolite-responsive ribozyme

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

A genomewide search for ribozymes reveals an HDV-like sequence in the human CPEB3 gene

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

HDV-like self-cleaving ribozymes

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

Widespread occurrence of self-cleaving ribozymes

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

Protonation states of the key active site residues and structural dynamics of the glmS riboswitch as revealed by molecular dynamics

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

Structural investigation of the GlmS ribozyme bound to Its catalytic cofactor

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

Structural basis of glmS ribozyme activation by glucosamine-6-phosphate

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

Molecular dynamics suggest multifunctionality of an adenine imino group in acid-base catalysis of the hairpin ribozyme.

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

Trapped water molecules are essential to structural dynamics and function of a ribozyme

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

Identification of an Imino Group Indispensable for Cleavage by a Small Ribozyme

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

Structural roles of monovalent cations in the HDV ribozyme

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

A conformational switch controls hepatitis delta virus ribozyme catalysis

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

General base catalysis for cleavage by the active-site cytosine of the hepatitis delta virus ribozyme: QM/MM calculations establish chemical feasibility

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

General acid catalysis by the hepatitis delta virus ribozyme

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

Proton inventory of the genomic HDV ribozyme in Mg(2+)-containing solutions.

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

General acid-base catalysis in the mechanism of a hepatitis delta virus ribozyme

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

Mechanistic characterization of the HDV genomic ribozyme: assessing the catalytic and structural contributions of divalent metal ions within a multichannel reaction mechanism

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

Imidazole rescue of a cytosine mutation in a self-cleaving ribozyme

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

A 1.9 A crystal structure of the HDV ribozyme precleavage suggests both Lewis acid and general acid mechanisms contribute to phosphodiester cleavage

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

Metal binding motif in the active site of the HDV ribozyme binds divalent and monovalent ions

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

Theoretical studies of enzymic reactions: dielectric, electrostatic and steric stabilization of the carbonium ion in the reaction of lysozyme

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

Specific Reaction Parametrization of the AM1/d Hamiltonian for Phosphoryl Transfer Reactions: H, O, and P Atoms

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

How Well Can Hybrid Density Functional Methods Predict Transition State Geometries and Barrier Heights?

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

Charged nucleobases and their potential for RNA catalysis

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

Direct measurement of a pK(a) near neutrality for the catalytic cytosine in the genomic HDV ribozyme using Raman crystallography

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

Direct Raman measurement of an elevated base pKa in the active site of a small ribozyme in a precatalytic conformation

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

Direct measurement of the ionization state of an essential guanine in the hairpin ribozyme

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

Relationship between internucleotide linkage geometry and the stability of RNA.

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

A view at the millennium: the efficiency of enzymatic catalysis

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

Ground State and Transition State Contributions to the Rates of Intramolecular and Enzymatic Reactions

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

Dynamical contributions to enzyme catalysis: critical tests of a popular hypothesis

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

How much do enzymes really gain by restraining their reacting fragments?

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

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

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

Frontiers in molecular dynamics simulations of DNA.

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

Simulations of A-RNA duplexes. The effect of sequence, solute force field, water model, and salt concentration

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

Force field parameters for rotation around chi torsion axis in nucleic acids

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

Reparameterization of RNA chi Torsion Parameters for the AMBER Force Field and Comparison to NMR Spectra for Cytidine and Uridine.

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

Revision of AMBER Torsional Parameters for RNA Improves Free Energy Predictions for Tetramer Duplexes with GC and iGiC Base Pairs

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

Can We Accurately Describe the Structure of Adenine Tracts in B-DNA? Reference Quantum-Chemical Computations Reveal Overstabilization of Stacking by Molecular Mechanics

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

Examination by the molecular orbital method of the intrinsic conformation preferences of nucleic acid sequence

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

Conformational studies of nucleic acids. II. The conformational energetics of commonly occurring nucleosides

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

Quantum chemical studies on the conformational structure of nucleic acids. IV. Calculation of backbone structure by CNDO method.

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

Backbone Conformations in Secondary and Tertiary Structural Units of Nucleic Acids. Constraint in the Phosphodiester Conformation

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

Reevaluation of Stereoelectronic Contributions to the Conformational Properties of the Phosphodiester and N3‘-Phosphoramidate Moieties of Nucleic Acids

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

Intrinsic conformational energetics associated with the glycosyl torsion in DNA: a quantum mechanical study

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

Intrinsic conformational properties of deoxyribonucleosides: implicated role for cytosine in the equilibrium among the A, B, and Z forms of DNA

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

Ab initio conformational analysis of nucleic acid components: intrinsic energetic contributions to nucleic acid structure and dynamics

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

Intramolecular hydrogen bonding in 2′-deoxyribonucleosides: an AIM topological study of the electronic density

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

Intramolecular hydrogen bonding in ribonucleosides: an AIM topological study of the electronic densityElectronic supplementary information (ESI) available: Integrated properties of atomic basins, radii characterizing hydrogen bond interactions, and p

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

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

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

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

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

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

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

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

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

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

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

Contribution of the intrinsic mechanical energy of the phosphodiester linkage to the relative stability of the A, BI, and BII forms of duplex DNA.

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

Conformational flexibility of c8-phenoxyl-2'-deoxyguanosine nucleotide adducts

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

Calculating the response of NMR shielding tensor σ(31P) and 2J(31P,13C) coupling constants in nucleic acid phosphate to coordination of the Mg2+ cation

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

Effect of local sugar and base geometry on 13C and 15N magnetic shielding anisotropy in DNA nucleosides

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

Phosphorus chemical shifts in a nucleic acid backbone from combined molecular dynamics and density functional calculations

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

Structural interpretation of J coupling constants in guanosine and deoxyguanosine: modeling the effects of sugar pucker, backbone conformation, and base pairing.

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

Chemical shifts in nucleic acids studied by density functional theory calculations and comparison with experiment

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

DNA strand breaks induced by near-zero-electronvolt electron attachment to pyrimidine nucleotides

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

Electron attachment-induced DNA single-strand breaks at the pyrimidine sites

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

Electron attachment to DNA single strands: gas phase and aqueous solution

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

Low-energy electron attachment to 5'-thymidine monophosphate: modeling single strand breaks through dissociative electron attachment.

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

Structural and functional consequences of phosphate-arsenate substitutions in selected nucleotides: DNA, RNA, and ATP.

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

Noncanonical Hydrogen Bonding in Nucleic Acids. Benchmark Evaluation of Key Base–Phosphate Interactions in Folded RNA Molecules Using Quantum-Chemical Calculations and Molecular Dynamics Simulations

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

Conformational Energies of DNA Sugar−Phosphate Backbone: Reference QM Calculations and a Comparison with Density Functional Theory and Molecular Mechanics

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

Performance of Molecular Mechanics Force Fields for RNA Simulations: Stability of UUCG and GNRA Hairpins

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

Kinetics of RNA Degradation by Specific Base Catalysis of Transesterification Involving the 2‘-Hydroxyl Group

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

Toward a Full Characterization of Nucleic Acid Components in Aqueous Solution: Simulations of Nucleosides

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

On the convergence of the (ΔECCSD(T)−ΔEMP2) term for complexes with multiple H-bonds

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

Accurate Interaction Energies of Hydrogen-Bonded Nucleic Acid Base Pairs

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

Geometry of the Phosphate Group and Its Interactions with Metal Cations in Crystals andab InitioCalculations

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

Non-enzymatic cleavage and ligation of RNAs complementary to a plant virus satellite RNA

1 reference

https://api.crossref.org/works/10.1039%2FC2CP41987D

21 January 2018

Identifiers

10.1039/C2CP41987D

1 reference

Europe PubMed Central

PubMed publication ID

27 August 2017

PubMed publication ID

1 reference

Europe PubMed Central

PubMed publication ID

27 August 2017

ResearchGate publication ID

0 references

Sitelinks

Wikipedia(0 entries)

Wikibooks(0 entries)

Wikinews(0 entries)

Wikiquote(0 entries)

Wikisource(0 entries)

Wikiversity(0 entries)

Wikivoyage(0 entries)

Wiktionary(0 entries)

Multilingual sites(0 entries)

Retrieved from "https://www.wikidata.org/w/index.php?title=Q38052698&oldid=2161372859"