Molecular Dynamics Simulation

Insight into buffalo (Bubalus bubalis) RIG1 and MDA5 receptors: a comparative study on dsRNA recognition and in-vitro antiviral response

Molecular Dynamics Simulation / Immunohistochemistry / Multidisciplinary / Signal Transduction / Phylogeny / Animals / PLoS one / Analysis of Variance / Amino Acid Sequence / Base Sequence / Buffaloes / Molecular Sequence Data / Animals / PLoS one / Analysis of Variance / Amino Acid Sequence / Base Sequence / Buffaloes / Molecular Sequence Data

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In Silico Design of Antimicrobial Peptides

Molecular Dynamics Simulation / Computational Biology / Humans / Drug Design / Antimicrobial Cationic Peptides / Biochemistry and cell biology

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Structural dynamics as a contributor to error-prone replication by an RNA-dependent RNA polymerase

Molecular Dynamics Simulation / Kinetics / Biological Chemistry / Macromolecular X-Ray Crystallography / Biological Sciences / Mutation / CHEMICAL SCIENCES / Protein Secondary Structure Prediction / Protein Binding / Nucleotides / Poliovirus / Mutation / CHEMICAL SCIENCES / Protein Secondary Structure Prediction / Protein Binding / Nucleotides / Poliovirus

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Randomized tree construction algorithm to explore energy landscapes

Algorithms / Computational Chemistry / Molecular Dynamics Simulation / Computational Biology / Monte Carlo Methods / THEORETICAL AND COMPUTATIONAL CHEMISTRY / Protein Conformation / Alanine / Monte Carlo Method / THEORETICAL AND COMPUTATIONAL CHEMISTRY / Protein Conformation / Alanine / Monte Carlo Method

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Biophysical characterization of a recombinant leucyl aminopeptidase from Bacillus kaustophilus

Biochemistry / Thermodynamics / Dentistry / Structural Biology / Molecular Dynamics Simulation / Genomics / Protein Folding / Proteomics / Biological Physics / Fluorescent Dyes and Reagents / Apoptosis / Structural Genomics / Ion Channels / Macromolecular X-Ray Crystallography / Protein Stability / HIV / Neurospora crassa / Cell line / Humans / Sequence alignment / Computer Simulation / Circular Dichroism / Mice / Animals / Bacillus / Ligand Binding / Temperature / Urea / Enzyme / Molecular cloning / Amino Acids / Protein Sequence Analysis / Cell nucleus / Anti-Bacterial Agents / Protein Secondary Structure Prediction / Success Rate / Spectrum analysis / Trifluoroethanol / Transfection / Protein Conformation / Molecular weight / Large Scale / Amino Acid Sequence / Calcium Chloride / Protein Quaternary Structure / Recombinant Protein / Structure activity Relationship / Recombinant Proteins / Protein Binding / Hydrogen-Ion Concentration / X Ray Crystallography / Structure Determination / Protein Denaturation / Ligands / Sodium Chloride / Biochemistry and cell biology / Solvents / Genomics / Protein Folding / Proteomics / Biological Physics / Fluorescent Dyes and Reagents / Apoptosis / Structural Genomics / Ion Channels / Macromolecular X-Ray Crystallography / Protein Stability / HIV / Neurospora crassa / Cell line / Humans / Sequence alignment / Computer Simulation / Circular Dichroism / Mice / Animals / Bacillus / Ligand Binding / Temperature / Urea / Enzyme / Molecular cloning / Amino Acids / Protein Sequence Analysis / Cell nucleus / Anti-Bacterial Agents / Protein Secondary Structure Prediction / Success Rate / Spectrum analysis / Trifluoroethanol / Transfection / Protein Conformation / Molecular weight / Large Scale / Amino Acid Sequence / Calcium Chloride / Protein Quaternary Structure / Recombinant Protein / Structure activity Relationship / Recombinant Proteins / Protein Binding / Hydrogen-Ion Concentration / X Ray Crystallography / Structure Determination / Protein Denaturation / Ligands / Sodium Chloride / Biochemistry and cell biology / Solvents

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Luminescence Quenching by Photoinduced Charge Transfer between Metal Complexes in Peptide Nucleic Acids

Engineering / Molecular Dynamics Simulation / Atomistic Simulation using MD and Ab Inition Method / Charge and Electron Transfer / Copper / Peptide Nucleic Acids / Physical sciences / Luminescence / CHEMICAL SCIENCES / Electrons / PNA / Organometallic Compounds / Molecular Structure / Photochemical Processes / Transition Temperature / Peptide Nucleic Acids / Physical sciences / Luminescence / CHEMICAL SCIENCES / Electrons / PNA / Organometallic Compounds / Molecular Structure / Photochemical Processes / Transition Temperature

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In-silico Assessment of Protein-Protein Electron Transfer. A Case Study: Cytochrome c Peroxidase – Cytochrome c

Molecular Dynamics Simulation / Biology / Biological Sciences / Computer Simulation / Mathematical Sciences / Animals / Horses / Electron Transport / Computational / Protein Conformation / Oxidation-Reduction / Animals / Horses / Electron Transport / Computational / Protein Conformation / Oxidation-Reduction

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Molecular dynamics parameter maps by 1H Hahn echo and mixed-echo phase-encoding MRI

Engineering / Algorithms / Molecular Dynamics Simulation / Magnetic Resonance Imaging / Magnetic Resonance Spectroscopy / Elastomers / Computer Simulation / Physical sciences / Magnetic Resonance / Protons / Elastomers / Computer Simulation / Physical sciences / Magnetic Resonance / Protons

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Surface presentation of functional peptides in solution determines cell internalization efficiency of TAT conjugated nanoparticles

Water / Molecular Dynamics Simulation / Nanoparticles / Transmission Electron Microscopy / Nanotechnology / Multidisciplinary / Humans / Computer Simulation / Gold / Temperature / Peptides / Drug Delivery Systems / HeLa cells / Lipid bilayers / Multidisciplinary / Humans / Computer Simulation / Gold / Temperature / Peptides / Drug Delivery Systems / HeLa cells / Lipid bilayers

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Leoligin, the major lignan from Edelweiss, activates cholesteryl ester transfer protein

Molecular Dynamics Simulation / Atherosclerosis / Humans / Mice / Animals / Lignans / Clinical Sciences / High Density Lipoprotein / Rabbits / Lignans / Clinical Sciences / High Density Lipoprotein / Rabbits

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d -Amino Acid Chemical Reporters Reveal Peptidoglycan Dynamics of an Intracellular Pathogen

Molecular Dynamics Simulation / Biological Sciences / Click chemistry / Listeria monocytogenes / CHEMICAL SCIENCES / Molecular Conformation / Alanine / Peptidoglycan / Molecular Conformation / Alanine / Peptidoglycan

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Effect of Noise on DNA Sequencing via Transverse Electronic Transport

Molecular Dynamics Simulation / Biophysical Chemistry / Probability / Biological Sciences / DNA / Physical sciences / DNA sequence design / Electron Transport / CHEMICAL SCIENCES / Time Factors / Electric Conductivity / Nucleic Acid Conformation / Nucleotides / Current Distribution / Physical sciences / DNA sequence design / Electron Transport / CHEMICAL SCIENCES / Time Factors / Electric Conductivity / Nucleic Acid Conformation / Nucleotides / Current Distribution

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Structural dynamics as a contributor to error-prone replication by an RNA-dependent RNA polymerase

Molecular Dynamics Simulation / Kinetics / Biological Chemistry / Macromolecular X-Ray Crystallography / Biological Sciences / Mutation / CHEMICAL SCIENCES / Protein Secondary Structure Prediction / Protein Binding / Nucleotides / Poliovirus / Mutation / CHEMICAL SCIENCES / Protein Secondary Structure Prediction / Protein Binding / Nucleotides / Poliovirus

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Structural dynamics as a contributor to error-prone replication by an RNA-dependent RNA polymerase

Molecular Dynamics Simulation / Kinetics / Biological Chemistry / Macromolecular X-Ray Crystallography / Biological Sciences / Mutation / CHEMICAL SCIENCES / Protein Secondary Structure Prediction / Protein Binding / Nucleotides / Poliovirus / Mutation / CHEMICAL SCIENCES / Protein Secondary Structure Prediction / Protein Binding / Nucleotides / Poliovirus

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Coarse-grained potential models for phenyl-based molecules: I. parametrization using experimental data

Engineering / Thermodynamics / Molecular Dynamics Simulation / Fullerenes / Physical sciences / The / Solubility / CHEMICAL SCIENCES / Phenylalanine / Benzene / Experimental Data / Nanotubes Carbon / Tyrosine / Solvents / The / Solubility / CHEMICAL SCIENCES / Phenylalanine / Benzene / Experimental Data / Nanotubes Carbon / Tyrosine / Solvents

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Insight into Buffalo (Bubalus bubalis) RIG1 and MDA5 Receptors: A Comparative Study on dsRNA Recognition and In-Vitro Antiviral Response

Molecular Dynamics Simulation / Immunohistochemistry / Multidisciplinary / Signal Transduction / Phylogeny / Animals / PLoS one / Analysis of Variance / Amino Acid Sequence / Base Sequence / Buffaloes / Animals / PLoS one / Analysis of Variance / Amino Acid Sequence / Base Sequence / Buffaloes

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