Molecular Dynamics Simulation

Structural basis for iron piracy by pathogenic Neisseria

Biochemistry / Microbiology / Electron Microscopy / Structural Biology / Molecular Dynamics Simulation / Small angle X-ray and neutron scattering / Small Angle X Ray Scattering / Intelligent Transport System / Multidisciplinary / Nature / Macromolecular X-Ray Crystallography / Crystal structure / Humans / Mice / Animals / Medical Research / Transferrin / Neisseria / Iron / Cattle / X ray diffraction / Protein Conformation / Species Specificity / Structure activity Relationship / Cell Surface Markers / Bacterial meningitis / Outer Membrane Protein / Apoproteins / Small angle X-ray and neutron scattering / Small Angle X Ray Scattering / Intelligent Transport System / Multidisciplinary / Nature / Macromolecular X-Ray Crystallography / Crystal structure / Humans / Mice / Animals / Medical Research / Transferrin / Neisseria / Iron / Cattle / X ray diffraction / Protein Conformation / Species Specificity / Structure activity Relationship / Cell Surface Markers / Bacterial meningitis / Outer Membrane Protein / Apoproteins

Systematic Validation of Protein Force Fields against Experimental Data

Molecular Dynamics Simulation / Protein Folding / Computational Biology / Magnetic Resonance Spectroscopy / Multidisciplinary / Ubiquitin / Humans / Computer Simulation / Temperature / Peptides / Proteins / PLoS one / Protein Secondary Structure Prediction / Molecular Conformation / Ubiquitin / Humans / Computer Simulation / Temperature / Peptides / Proteins / PLoS one / Protein Secondary Structure Prediction / Molecular Conformation

Introdução ao Método de Replica Exchange: Uma Abordagem Usando os Métodos de Monte Carlo e Dinâmica Molecular

Thermodynamics / Computational Chemistry / Molecular Dynamics Simulation / Monte Carlo Simulation / Replica Exchange

A Dynamical-Systems View of Stem Cell Biology

Molecular Dynamics Simulation / Stem Cells / Science / Gene expression / Multidisciplinary / Cell Differentiation / Cell communication / Cell Differentiation / Cell communication

Structural basis for iron piracy by pathogenic Neisseria

Electron Microscopy / Molecular Dynamics Simulation / Small angle X-ray and neutron scattering / Small Angle X Ray Scattering / Intelligent Transport System / Multidisciplinary / Nature / Macromolecular X-Ray Crystallography / Crystal structure / Humans / Mice / Animals / Transferrin / Neisseria / Iron / Cattle / X ray diffraction / Protein Conformation / Species Specificity / Structure activity Relationship / Bacterial meningitis / Outer Membrane Protein / Apoproteins / Multidisciplinary / Nature / Macromolecular X-Ray Crystallography / Crystal structure / Humans / Mice / Animals / Transferrin / Neisseria / Iron / Cattle / X ray diffraction / Protein Conformation / Species Specificity / Structure activity Relationship / Bacterial meningitis / Outer Membrane Protein / Apoproteins

Structural analysis of a Peptide fragment of transmembrane transporter protein bilitranslocase

Molecular Dynamics Simulation / Membrane Proteins / Magnetic Resonance Spectroscopy / Multidisciplinary / Micelles / Membrane transport proteins / PLoS one / Protein Secondary Structure Prediction / Amino Acid Sequence / Membrane transport proteins / PLoS one / Protein Secondary Structure Prediction / Amino Acid Sequence

In Silico Study of Global Structure of Human Serum Albumin

Molecular Dynamics Simulation / Multidisciplinary / SAGE / Green Nanotechnology / Human Serum Albumin (HSA)

In Silico Study of Global Structure of Human Serum Albumin

Molecular Dynamics Simulation / Multidisciplinary / SAGE / Green Nanotechnology / Human Serum Albumin (HSA)

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

Triangular prism-shaped beta-peptoid helices as unique biomimetic scaffolds

Organic Chemistry / Molecular Dynamics Simulation / Organic Synthesis

Structural basis for iron piracy by pathogenic Neisseria

Biochemistry / Microbiology / Electron Microscopy / Structural Biology / Molecular Dynamics Simulation / Small angle X-ray and neutron scattering / Small Angle X Ray Scattering / Intelligent Transport System / Multidisciplinary / Nature / Macromolecular X-Ray Crystallography / Crystal structure / Humans / Mice / Animals / Medical Research / Transferrin / Neisseria / Iron / Cattle / X ray diffraction / Protein Conformation / Species Specificity / Structure activity Relationship / Cell Surface Markers / Bacterial meningitis / Outer Membrane Protein / Apoproteins / Small angle X-ray and neutron scattering / Small Angle X Ray Scattering / Intelligent Transport System / Multidisciplinary / Nature / Macromolecular X-Ray Crystallography / Crystal structure / Humans / Mice / Animals / Medical Research / Transferrin / Neisseria / Iron / Cattle / X ray diffraction / Protein Conformation / Species Specificity / Structure activity Relationship / Cell Surface Markers / Bacterial meningitis / Outer Membrane Protein / Apoproteins

Contact Mechanics of Nanoparticles

Molecular Dynamics Simulation / Nanoparticles / Multidisciplinary / Particle Size / Surface Properties / Langmuir

Cellulose nanocrystal/graphene oxide composite film as humidity sensor

Molecular Dynamics Simulation / Renewable Energy / Microfabrication / MEMS design: Sensors and Actuators

MoDEL (Molecular Dynamics Extended Library): A Database of Atomistic Molecular Dynamics Trajectories

Data Mining / Molecular Dynamics Simulation / Structure / Biological Sciences / Software / CHEMICAL SCIENCES / Protein Conformation / Internet / Solvents / CHEMICAL SCIENCES / Protein Conformation / Internet / Solvents

Structural and functional analysis of a novel psychrophilic β-mannanase from Glaciozyma antarctica PI12

Molecular Dynamics Simulation / Sequence alignment / Acclimatization / THEORETICAL AND COMPUTATIONAL CHEMISTRY / Protein Conformation / Amino Acid Sequence / BASIDIOMYCOTA / Molecular Sequence Data / Amino Acid Sequence / BASIDIOMYCOTA / Molecular Sequence Data

Structural, Nanomechanical, and Computational Characterization of d,l-Cyclic Peptide Assemblies

Molecular Dynamics Simulation / Nanofibers / Multidisciplinary / Cyclic peptides / Elastic Modulus / Protein Conformation / Materials Testing / Protein Conformation / Materials Testing

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