Molecular Dynamic Simulation

Structural study of DNA duplex containing an N-(2-deoxy- -D-erythro-pentofuranosyl) formamide frameshift by NMR and restrained molecular dynamics

Nuclear Magnetic Resonance / Information Extraction / Magnetic Resonance Spectroscopy / DNA damage / Biological Sciences / DNA / Environmental Sciences / Temperature / Nucleic Acids / Base Sequence / Protons / Molecular Dynamic Simulation / Nucleic Acid Conformation / Molecular Structure / Ribose / DNA / Environmental Sciences / Temperature / Nucleic Acids / Base Sequence / Protons / Molecular Dynamic Simulation / Nucleic Acid Conformation / Molecular Structure / Ribose

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Protein explorer: A petaflops special-purpose computer system for molecular dynamics simulations

History / Bioinformatics / Computer Architecture / Computational Modeling / Hardware / Project Planning / Proteins / Pipelines / Chip / Massively parallel computing / Molecular Dynamic Simulation / Application Software / Project Planning / Proteins / Pipelines / Chip / Massively parallel computing / Molecular Dynamic Simulation / Application Software

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The nop gene from Phanerochaete chrysosporium encodes a peroxidase with novel structural features

Crystallography / Biophysical Chemistry / Biological Sciences / Crystal structure / Peroxidase / Physical sciences / CHEMICAL SCIENCES / Peroxidases / Comparative modeling / Protein Conformation / Amino Acid Sequence / Molecular Dynamic Simulation / Full Length Movies / Physical sciences / CHEMICAL SCIENCES / Peroxidases / Comparative modeling / Protein Conformation / Amino Acid Sequence / Molecular Dynamic Simulation / Full Length Movies

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One-dimensional assemblies of silica-coated cobalt nanoparticles: Magnetic pearl necklaces

Mechanical Engineering / Condensed Matter Physics / Magnetic field / Magnetism / Silica / Colloids / Dipole / Self Organization / Spectrum / Magnetism and Magnetic Materials / Molecular Dynamic Simulation / Driving force / Colloids / Dipole / Self Organization / Spectrum / Magnetism and Magnetic Materials / Molecular Dynamic Simulation / Driving force

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Thermal transport in Si/Ge nanocomposites

Engineering / Nanocomposites / Composite Materials / Nanowires / Nanocomposite / Physical sciences / Weak Dependence / Interfaces / Heat Flux / Interface / Temperature Distribution / Thermal Conductivity / Thermal Resistance / Experimental Data / Molecular Dynamic Simulation / Physical sciences / Weak Dependence / Interfaces / Heat Flux / Interface / Temperature Distribution / Thermal Conductivity / Thermal Resistance / Experimental Data / Molecular Dynamic Simulation

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EDITORIAL: Special issue: CAMOP MOLEC XVI

Czech Republic / Complex System / Mathematical Sciences / Physical sciences / Low Energy Buildngs / Van Der Waals / Experimental Study / Hydrogen Bond / Optimal Reactive Power System / Cross Section / Chemical Reaction / Soft X Ray / Potential Energy Surface / Electro Magnetic / Ab Initio Calculation / Diffusion Monte Carlo / Molecular Dynamic Simulation / Van Der Waals / Experimental Study / Hydrogen Bond / Optimal Reactive Power System / Cross Section / Chemical Reaction / Soft X Ray / Potential Energy Surface / Electro Magnetic / Ab Initio Calculation / Diffusion Monte Carlo / Molecular Dynamic Simulation

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Special issue: CAMOP–MOLEC XVI

Czech Republic / Complex System / Mathematical Sciences / Physical sciences / Low Energy Buildngs / Van Der Waals / Experimental Study / Hydrogen Bond / Optimal Reactive Power System / Cross Section / Chemical Reaction / Soft X Ray / Potential Energy Surface / Electro Magnetic / Ab Initio Calculation / Diffusion Monte Carlo / Molecular Dynamic Simulation / Van Der Waals / Experimental Study / Hydrogen Bond / Optimal Reactive Power System / Cross Section / Chemical Reaction / Soft X Ray / Potential Energy Surface / Electro Magnetic / Ab Initio Calculation / Diffusion Monte Carlo / Molecular Dynamic Simulation

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Self assembly of amphiphilic C60 fullerene derivatives into nanoscale supramolecular structures

Technology / Electron Microscopy / Nanobiotechnology / Self Assembly / Transmission Electron Microscopy / Cell line / Controlled release / Complex network / Dynamic Light Scattering / Water Soluble Fertilizers / Molecular Dynamic Simulation / Molecular Structure / Cell line / Controlled release / Complex network / Dynamic Light Scattering / Water Soluble Fertilizers / Molecular Dynamic Simulation / Molecular Structure

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Self-assembly of magnetic nanostructures

Monte Carlo / Self Assembly / Oscillations / Molecular Dynamic Simulation / Colloidal Suspension

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Comparative structural analysis of two proteins belonging to quorum sensing system in Vibrio cholerae

Biofilms / Molecular Dynamics Simulation / Signal Transduction / Communication System / Homology Modeling / Vibrio cholerae / Drug Design / Quorum Sensing / Molecular docking / Structure Analysis / Protein Binding / Drug Targeting / Molecular Dynamic Simulation / Environmental Parameter / Computational Method / Biochemistry and cell biology / Vibrio cholerae / Drug Design / Quorum Sensing / Molecular docking / Structure Analysis / Protein Binding / Drug Targeting / Molecular Dynamic Simulation / Environmental Parameter / Computational Method / Biochemistry and cell biology

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Structural study of DNA duplex containing an N-(2-deoxy- -D-erythro-pentofuranosyl) formamide frameshift by NMR and restrained molecular dynamics

Nuclear Magnetic Resonance / Information Extraction / Magnetic Resonance Spectroscopy / DNA damage / Biological Sciences / DNA / Environmental Sciences / Temperature / Nucleic Acids / Base Sequence / Protons / Molecular Dynamic Simulation / Nucleic Acid Conformation / Molecular Structure / Ribose / DNA / Environmental Sciences / Temperature / Nucleic Acids / Base Sequence / Protons / Molecular Dynamic Simulation / Nucleic Acid Conformation / Molecular Structure / Ribose

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CEWQO Topical Issue

Stochastic Process / Quantum Optics / Quantum Information Processing / Quantum Theory / Quantum Mechanics / Carbon Nanotube / Cultural Capital / Peer Review / Optical Design / Magnetic field / Information Processing / Czech Republic / European Commission / Mathematical Sciences / Physical sciences / Photonic Crystal / Plasma Treatment / Random Matrix Theory / Dielectric Function / Alkali Metals / Zinc / Oscillations / Optical Properties / Quantum Computer / Electromagnetic Field / Experimental Study / Spontaneous Emission / Fine Structure Constant / Spectrum / Quantum Dynamics / Transition Countries / Time Dependent / Optical fiber / Statistical Properties / Coherent States / Thermal Radiation / Discrete random variable / Negative refractive index / Statistical Test / Hydrogen Atom / Network Model / Light Propagation / Single Mode / Initial Condition / Experimental Data / Finite Temperature / Molecular Dynamic Simulation / Hyperfine Structure / Long Distance / Error Correction Code / Correlation function / Open Quantum System / Thin Layer / Carbon Nanotube / Cultural Capital / Peer Review / Optical Design / Magnetic field / Information Processing / Czech Republic / European Commission / Mathematical Sciences / Physical sciences / Photonic Crystal / Plasma Treatment / Random Matrix Theory / Dielectric Function / Alkali Metals / Zinc / Oscillations / Optical Properties / Quantum Computer / Electromagnetic Field / Experimental Study / Spontaneous Emission / Fine Structure Constant / Spectrum / Quantum Dynamics / Transition Countries / Time Dependent / Optical fiber / Statistical Properties / Coherent States / Thermal Radiation / Discrete random variable / Negative refractive index / Statistical Test / Hydrogen Atom / Network Model / Light Propagation / Single Mode / Initial Condition / Experimental Data / Finite Temperature / Molecular Dynamic Simulation / Hyperfine Structure / Long Distance / Error Correction Code / Correlation function / Open Quantum System / Thin Layer

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Silica molecular dynamic force fields—A practical assessment

Materials Engineering / Silica / Non crystalline solids / Large Scale / Thermal Expansion / Force Field Analysis / Molecular Dynamic Simulation / Force Field Analysis / Molecular Dynamic Simulation

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Electrolytic transport through a synthetic nanometer-diameter pore

Multidisciplinary / Multiscale Simulation / Silicon Nitride / Ionic Conductivity / Transmission Electron Microscope / Ion Transport / Nanostructured Material / Electron Beam / Molecular Dynamic Simulation / High energy / Ion Transport / Nanostructured Material / Electron Beam / Molecular Dynamic Simulation / High energy

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Experimental equilibrium crystal structures: Molecular dynamics as a probe for atomic probability density functions

Technology / Crystal structure / DFT calculation / Physical sciences / CHEMICAL SCIENCES / Probability Density Function / Experimental Data / Molecular Dynamic Simulation / Probability Density Function / Experimental Data / Molecular Dynamic Simulation

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Experimental equilibrium crystal structures: Molecular dynamics as a probe for atomic probability density functions

Technology / Crystal structure / DFT calculation / Physical sciences / CHEMICAL SCIENCES / Probability Density Function / Experimental Data / Molecular Dynamic Simulation / Probability Density Function / Experimental Data / Molecular Dynamic Simulation

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