Molecular Dynamic Simulation

Major human γ-aminobutyrate transporter: In silico prediction of substrate efficacy

Molecular Dynamics / Homology Modeling / Crystal structure / Humans / Computer Simulation / Ligand Binding / Substrate Specificity / Protein Conformation / In Silico / Protein Binding / Antiepileptic Drug / Molecular Dynamic Simulation / Gamma-Aminobutyric Acid / Biochemistry and cell biology / Ligand Binding / Substrate Specificity / Protein Conformation / In Silico / Protein Binding / Antiepileptic Drug / Molecular Dynamic Simulation / Gamma-Aminobutyric Acid / Biochemistry and cell biology

Major human γ-aminobutyrate transporter: In silico prediction of substrate efficacy

Molecular Dynamics / Homology Modeling / Crystal structure / Humans / Computer Simulation / Ligand Binding / Substrate Specificity / Protein Conformation / In Silico / Protein Binding / Antiepileptic Drug / Molecular Dynamic Simulation / Gamma-Aminobutyric Acid / Biochemistry and cell biology / Ligand Binding / Substrate Specificity / Protein Conformation / In Silico / Protein Binding / Antiepileptic Drug / Molecular Dynamic Simulation / Gamma-Aminobutyric Acid / Biochemistry and cell biology

Exploring free-energy profiles through ion channels: Comparison on a test case

Numerical Simulation / Free Energy / Computational electronics / Steered Molecular Dynamics / Molecular Dynamic Simulation

An AP Endonuclease 1�DNA Polymerase � Complex: Theoretical Prediction of Interacting Surfaces

Weak interaction / Crystal structure / Enzyme / Complexity Analysis / Binding Energy / Study design / Metabolic pathway / MD Simulation / Molecular Dynamic Simulation / Base Excision Repair / DNA Polymerase / Nucleotides / Visual Inspection / Study design / Metabolic pathway / MD Simulation / Molecular Dynamic Simulation / Base Excision Repair / DNA Polymerase / Nucleotides / Visual Inspection

An AP endonuclease 1-DNA polymerase beta complex: theoretical prediction of interacting surfaces

Weak interaction / Biological Sciences / DNA / Crystal structure / Computer Simulation / Mathematical Sciences / Enzyme / Complexity Analysis / Binding Energy / Study design / Protein Conformation / Metabolic pathway / Protein Binding / MD Simulation / Molecular Dynamic Simulation / Nucleic Acid Conformation / Base Excision Repair / DNA Polymerase / Nucleotides / Visual Inspection / Mathematical Sciences / Enzyme / Complexity Analysis / Binding Energy / Study design / Protein Conformation / Metabolic pathway / Protein Binding / MD Simulation / Molecular Dynamic Simulation / Nucleic Acid Conformation / Base Excision Repair / DNA Polymerase / Nucleotides / Visual Inspection

Elasticity Size Effects in ZnO Nanowires−A Combined Experimental-Computational Approach

Scanning Electron Microscopy / Transmission Electron Microscopy / Multidisciplinary / Elasticity / Nanowires / Zinc Oxide / Computer Simulation / Nanostructures / Nanostructure / Long Range / Surface Reconstruction / Bulk Modulus / High Power / Dynamic Response / Size Effect / Elastic Modulus / Transmission Electron Microscope / Material Properties / Young Modulus / Molecular Dynamic Simulation / Zinc Oxide / Computer Simulation / Nanostructures / Nanostructure / Long Range / Surface Reconstruction / Bulk Modulus / High Power / Dynamic Response / Size Effect / Elastic Modulus / Transmission Electron Microscope / Material Properties / Young Modulus / Molecular Dynamic Simulation

Transfer coefficients for evaporation of a system with a Lennard-Jones long-range spline potential

Engineering / Thermodynamics / Heat and Mass Transfer / Kinetic Theory / Mathematical Sciences / Physical sciences / Long Range / Phase transition / Autonomic System / Molecular Dynamic Simulation / Physical sciences / Long Range / Phase transition / Autonomic System / Molecular Dynamic Simulation

Transfer coefficients for evaporation of a system with a Lennard-Jones long-range spline potential

Engineering / Thermodynamics / Heat and Mass Transfer / Kinetic Theory / Mathematical Sciences / Physical sciences / Long Range / Phase transition / Autonomic System / Molecular Dynamic Simulation / Physical sciences / Long Range / Phase transition / Autonomic System / Molecular Dynamic Simulation

Ground-state structures of superparamagnetic two-dimensional dusty plasma crystals

Engineering / Magnetic Materials / Dusty Plasma / Magnetic field / Mathematical Sciences / Physical sciences / Lattice Parameter / Electrostatic force / Molecular Dynamic Simulation / Physical sciences / Lattice Parameter / Electrostatic force / Molecular Dynamic Simulation

Molecular dynamics in cytochrome c oxidase Mössbauer spectra deconvolution

Molecular Dynamics Simulation / Mössbauer Spectroscopy / Molecular Dynamics / Cytochrome c oxidase / Proton Transfer / Iron / Low Temperature / Protein Conformation / Molecular Dynamic Simulation / Biochemistry and cell biology / Iron / Low Temperature / Protein Conformation / Molecular Dynamic Simulation / Biochemistry and cell biology

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