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Catalytic strategies of the hepatitis delta virus ribozyme as probed by molecular dynamics simulations.
MD simulation in explicit solvent...
BO - Biofyzika
- 2004 •
- A
Rok uplatnění
A - Audiovizuální tvorba
Molecular dynamics simulation of chiral chromatography
Molecular dynamics (MD) has been used to simulate the liquid chromatography process.
CF - Fyzikální chemie a teoretická chemie
- 2008 •
- Jx
Rok uplatnění
Jx - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)
Volumes and volume fluctuations of Voronoi polyhedra in MD simulated silicate glasses
Volumes and volume fluctuations of Voronoi polyhedra in MD simulated silicate glasses...
JH - Keramika, žáruvzdorné materiály a skla
- 2004 •
- Jx
Rok uplatnění
Jx - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)
Molecular dynamics simulations of G-quadruplexes: The basic principles and their application to folding and ligand binding
) simulations are reviewed. We describe the basic principles and limitations of MD methodology. We also explain how to compare MD simulations with experiments and how to correctly interpret MD data. Differ...
Biochemistry and molecular biology
- 2020 •
- Jimp •
- Link
Rok uplatnění
Jimp - Článek v periodiku v databázi Web of Science
Výsledek na webu
First principles molecular dynamics of silicate oxynitride melt doped with scandium, yttrium and lanthanum
The first principles molecular dynamics (FP-MD) simulations of three oxynitride glass-forming systems (Mg-M-Si-O-N, M = Sc, Y, La, 20 eq.% of N) were carried out. FP-MD simulations based on the density functional t...
JH - Keramika, žáruvzdorné materiály a skla
- 2007 •
- Jx
Rok uplatnění
Jx - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)
Single Stranded Loops of Quadruplex DNA As Key Benchmark for Testing Nucleic Acids Force Fields
We have carried out a set of explicit solvent molecular dynamics (MD) simulations on two DNA quadruplex (G-DNA) molecules. The main purpose of the paper was testing of the capability of the MD simulation technique ...
BO - Biofyzika
- 2009 •
- Jx
Rok uplatnění
Jx - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)
UUCG RNA Tetraloop as a Formidable Force-Field Challenge for MD Simulations
Explicit solvent atomistic molecular dynamics (MD) simulations represent systems for MD simulations and, among them, the UUCG tetraloop is saliently difficult. We report a detailed analysis of UUCG MD '
Atomic, molecular and chemical physics (physics of atoms and molecules including collision, interaction with radiation, magnetic resonances, Mössbauer effect)
- 2020 •
- Jimp •
- Link
Rok uplatnění
Jimp - Článek v periodiku v databázi Web of Science
Výsledek na webu
MD Simulations Shed Light on the Ability of Phosphonate Antisense Nucleic Acids to Hybridize with mRNA and to Elicit RnaseH Activity
MD Simulations Shed Light on the Ability of Phosphonate Antisense Nucleic Acids to Hybridize with mRNA and to Elicit RnaseH Activity......
BO - Biofyzika
- 2004 •
- D
Rok uplatnění
D - Stať ve sborníku
How to understand atomistic molecular dynamics simulations of RNA and protein-RNA complexes?
dynamics (MD) simulations of RNA and protein/RNA complexes, written primarily for non-specialists with an emphasis to explain the limitations of MD. MD simulations can advantage of MD is the unli...
Physical chemistry
- 2017 •
- Jimp •
- Link
Rok uplatnění
Jimp - Článek v periodiku v databázi Web of Science
Výsledek na webu
Structure Silicate Oxynitride Melt Doped with Scandium, Yttrium and Lanthanum: a MD DFT Simulation
The MD DFT simulations of three oxynitride systems (Mg-M-Si-O-N, M = Sc, Y, La, 20 eq.% of N) were carried out. The results in the form of RDF and a coordination and crystalline phases. It was confirmed that MD DFT can be u...
JH - Keramika, žáruvzdorné materiály a skla
- 2006 •
- Jx
Rok uplatnění
Jx - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)
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