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Communication maps computed for homodimeric hemoglobin: Computational study of water-mediated energy transport in proteins

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What this work says

Outgoing claims: the papers this work cites, builds on, or argues with.

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Geometric Structures of Phase Space in Multidimensional Chaos

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Echtzeitnachweis von Änderungen im Protein‐Wassernetzwerk während der Proteinfaltung mit Terahertz‐Absorptionsspektroskopie

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CHARMM : A program for macromolecular energy, minimization, and dynamics calculations

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Pump‐probe molecular dynamics as a tool for studying protein motion and long range coupling

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Signaling pathways of PDZ2 domain: A molecular dynamics interaction correlation analysis

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Normal modes of vibration in bovine pancreatic trypsin inhibitor and its mechanical property

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Advances in Chemical Physics

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Mutational destabilization of the critical interface water cluster in Scapharca dimeric hemoglobin: structural basis for altered allosteric activity

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Dimeric and tetrameric hemoglobins from the mollusc Scapharca inaequivalvis

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Thermal transport in liquid and glassy water computed with normal modes

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Energy transfer pathways relevant for long-range intramolecular signaling of photosensory protein revealed by microscopic energy conductivity analysis

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MHC–Peptide Binding is Assisted by Bound Water Molecules

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Intramolecular Signaling Pathways Revealed by Modeling Anisotropic Thermal Diffusion

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Water in channel-like cavities: structure and dynamics

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Cooperativity in Scapharca Dimeric Hemoglobin: Simulation of Binding Intermediates and Elucidation of the Role of Interfacial Water

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Protein-water interactions. Heat capacity of the lysozyme-water system

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Directed Energy “Funneling" Mechanism for Heme Cooling Following Ligand Photolysis or Direct Excitation in Solvated Carbonmonoxy Myoglobin

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Molecular Dynamics of Water at the Protein−Solvent Interface

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Vibrational Energy Transfer and Heat Conduction in a Protein

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Temperature Dependence of Vibrational Energy Transfer in a Protein Molecule

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Simulating Vibrational Energy Flow in Proteins: Relaxation Rate and Mechanism for Heme Cooling in Cytochrome c

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Thermodynamics of Protein Hydration Computed by Molecular Dynamics and Normal Modes

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Dynamics of Water Confined in the Interdomain Region of a Multidomain Protein

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Anisotropic Structural Relaxation and Its Correlation with the Excess Energy Diffusion in the Incipient Process of Photodissociated MbCO: High-Resolution Analysis via Ensemble Perturbation Method

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Ferroelectric Hydration Shells around Proteins: Electrostatics of the Protein−Water Interface

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Influence of Hydrostatic Pressure on Dynamics and Spatial Distribution of Protein Partial Molar Volume: Time-Resolved Surficial Kirkwood-Buff Approach

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Dynamics of Water Clusters Confined in Proteins: A Molecular Dynamics Simulation Study of Interfacial Waters in a Dimeric Hemoglobin

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Hydration Water Dynamics Near Biological Interfaces

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Energy Flow and Long-Range Correlations in Guanine-Binding Riboswitch: A Nonequilibrium Molecular Dynamics Study

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Pressure perturbation calorimetric studies of the solvation properties and the thermal unfolding of proteins in solution—experiments and theoretical interpretation

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Heat transfer in soft nanoscale interfaces: the influence of interface curvature

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Heat transfer in protein–water interfaces

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Anomalous diffusion of vibrational energy in proteins

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Heat flow in proteins: Computation of thermal transport coefficients

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Thermal transport coefficients for liquid and glassy water computed from a harmonic aqueous glass

inferredcites →https://doi.org/10.1063/1.3130149openalex-snapshot

Frequency-resolved communication maps for proteins and other nanoscale materials

inferredcites →https://doi.org/10.1063/1.3284742openalex-snapshot

Nonequilibrium molecular dynamics simulation of the energy transport through a peptide helix

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Coherent vibrational energy transfer along a peptide helix

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Comparison of simple potential functions for simulating liquid water

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A smooth particle mesh Ewald method

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Vibrational energy relaxation in proteins

inferredcites →https://doi.org/10.1073/pnas.0509411103openalex-snapshot

Allosteric action in real time: Time-resolved crystallographic studies of a cooperative dimeric hemoglobin

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Protein folding is slaved to solvent motions

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An extended dynamical hydration shell around proteins

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Protein hydration elucidated by molecular dynamics simulation.

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Ultra-fast excited state dynamics in green fluorescent protein: multiple states and proton transfer.

inferredcites →https://doi.org/10.1073/pnas.93.25.14526openalex-snapshot

Ordered water molecules as key allosteric mediators in a cooperative dimeric hemoglobin

inferredcites →https://doi.org/10.1074/jbc.r500006200openalex-snapshot

Allosteric Hemoglobin Assembly: Diversity and Similarity

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Biomolecule large-amplitude motion and solvation dynamics: modelling and probes from THz to X-rays

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Long-range energy transfer in proteins

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Energy-Flux Operator for a Lattice

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Thermal conductivity of disordered harmonic solids

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Thermal conductivity and localization in glasses: Numerical study of a model of amorphous silicon

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Thermal conductivity computed for vitreous silica and methyl-doped silica above the plateau

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Vibrational Energy Transfer in a Protein Molecule

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Structural Transitions Upon Ligand Binding in a Cooperative Dimeric Hemoglobin

inferredcites →https://doi.org/10.1140/epjst/e2007-00044-8openalex-snapshot

Hydration water in dynamics of a hydrated beta-lactoglobulin

inferredcites →https://doi.org/10.1146/annurev.physchem.59.032607.093606openalex-snapshot

Energy Flow in Proteins

inferredcites →https://doi.org/10.1146/annurev.physchem.59.032607.093815openalex-snapshot

Water in Nonpolar Confinement: From Nanotubes to Proteins and Beyond

inferredcites →https://doi.org/10.1201/9781420035070openalex-snapshot

Normal Mode Analysis

inferredcites →https://doi.org/10.1201/9781420087048openalex-snapshot

Proteins

inferredcites →https://doi.org/10.1201/9781420087048-24openalex-snapshot

Energy Flow and Allostery in an Ensemble

inferredcites →https://doi.org/10.1529/biophysj.105.069088openalex-snapshot

Hydration Dependence of Conformational Dielectric Relaxation of Lysozyme

inferredcites →https://doi.org/10.1529/biophysj.106.087726openalex-snapshot

Decomposition of Protein Experimental Compressibility into Intrinsic and Hydration Shell Contributions

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A Milestoning Study of the Kinetics of an Allosteric Transition: Atomically Detailed Simulations of Deoxy Scapharca Hemoglobin

What points at this work

Incoming claims: where this work appears in other papers’ reference lists and arguments.

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