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Probing the communication of deoxythymidine triphosphate in HIV-1 reverse transcriptase by communication maps and interaction energy studies
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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
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Heat Transport in Molecules and Reaction Kinetics: The Role of Quantum Energy Flow and Localization
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Energy exchange network of inter-residue interactions within a thermally fluctuating protein molecule: A computational study
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Is allostery an intrinsic property of all dynamic proteins?
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Signaling pathways of PDZ2 domain: A molecular dynamics interaction correlation analysis
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Numerical integration of the cartesian equations of motion of a system with constraints: molecular dynamics of n-alkanes
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Electrostatic interaction of a solute with a continuum. A direct utilizaion of AB initio molecular potentials for the prevision of solvent effects
inferredcites →https://doi.org/10.1016/j.bbagrm.2012.08.009openalex-snapshot
Basic mechanism of transcription by RNA polymerase II
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Nonlinear optical studies of heme protein dynamics: Implications for proteins as hybrid states of matter
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Structure based medicinal chemistry approach to develop 4-methyl-7-deazaadenine carbocyclic nucleosides as anti-HCV agent
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Allostery in Disease and in Drug Discovery
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Fragment-Based Approach for the Evaluation of NMR Chemical Shifts for Large Biomolecules Incorporating the Effects of the Solvent Environment
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Picosecond Structural Dynamics of Myoglobin following Photodissociation of Carbon Monoxide As Revealed by Ultraviolet Time-Resolved Resonance Raman Spectroscopy
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Water Dynamics in the Hydration Layer around Proteins and Micelles
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The Catalytic Mechanism of RNA Polymerase II
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Energy Flow from Solute to Solvent Probed by Femtosecond IR Spectroscopy: Malachite Green and Heme Protein Solutions
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Structure-Energy Analysis of the Role of Metal Ions in Phosphodiester Bond Hydrolysis by DNA Polymerase I
inferredcites →https://doi.org/10.1021/ja055251sopenalex-snapshot
Role of Protein Dynamics in Reaction Rate Enhancement by Enzymes
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Proteins: Energy, Heat, and Signal Flow
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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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Vibrational Energy Transfer and Heat Conduction in a 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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Dynamics of Water Clusters Confined in Proteins: A Molecular Dynamics Simulation Study of Interfacial Waters in a Dimeric Hemoglobin
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Vibrational Energy Flow through the Green Fluorescent Protein–Water Interface: Communication Maps and Thermal Boundary Conductance
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Mapping GFP structure evolution during proton transfer with femtosecond Raman spectroscopy
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Nucleic acid polymerases use a general acid for nucleotidyl transfer
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Heat flow in proteins: Computation of thermal transport coefficients
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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Polymorphic transitions in single crystals: A new molecular dynamics method
inferredcites →https://doi.org/10.1063/1.3623423openalex-snapshot
Communication maps computed for homodimeric hemoglobin: Computational study of water-mediated energy transport in proteins
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Fully optimized contracted Gaussian basis sets of triple zeta valence quality for atoms Li to Kr
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Vibrational energy relaxation in proteins
inferredcites →https://doi.org/10.1073/pnas.1306323110openalex-snapshot
Kinetic response of a photoperturbed allosteric protein
inferredcites →https://doi.org/10.1073/pnas.83.23.8982openalex-snapshot
Molecular dynamics simulations of cooling in laser-excited heme proteins.
inferredcites →https://doi.org/10.1073/pnas.96.25.14324openalex-snapshot
Vibrational population relaxation of carbon monoxide in the heme pocket of photolyzed carbonmonoxy myoglobin: Comparison of time-resolved mid-IR absorbance experiments and molecular dynamics simulations
inferredcites →https://doi.org/10.1099/vir.0.19731-0openalex-snapshot
Initiation of viral RNA-dependent RNA polymerization
inferredcites →https://doi.org/10.1103/physrev.132.168openalex-snapshot
Energy-Flux Operator for a Lattice
inferredcites →https://doi.org/10.1103/physrevb.48.12581openalex-snapshot
Thermal conductivity of disordered harmonic solids
inferredcites →https://doi.org/10.1126/science.1120280openalex-snapshot
Following the Flow of Energy in Biomolecules
inferredcites →https://doi.org/10.1126/science.1377403openalex-snapshot
Crystal Structure at 3.5 Å Resolution of HIV-1 Reverse Transcriptase Complexed with an Inhibitor
inferredcites →https://doi.org/10.1126/science.1699273openalex-snapshot
Molecular Targets for AIDS Therapy
inferredcites →https://doi.org/10.1126/science.282.5394.1669openalex-snapshot
Structure of a Covalently Trapped Catalytic Complex of HIV-1 Reverse Transcriptase: Implications for Drug Resistance
inferredcites →https://doi.org/10.1146/annurev.physchem.59.032607.093606openalex-snapshot
Energy Flow in Proteins
inferredcites →https://doi.org/10.1371/journal.pcbi.1000574openalex-snapshot
Dynamic Allostery in the Methionine Repressor Revealed by Force Distribution Analysis
inferredcites →https://doi.org/10.7326/0003-4819-124-11-199606010-00006openalex-snapshot
Viral Dynamics of HIV: Implications for Drug Development and Therapeutic Strategies
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
inferred← citeshttps://doi.org/10.2139/ssrn.4766630openalex-extracted
Examining the Impact of Water Molecules in Regulating Amicyanin Protein's Function: A Computational Study
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Understanding the Energetic Components Influencing the Thermodynamic Quantities of Carbonic Anhydrase Protein upon Ligand Binding
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Conformational Stability and Vibrational Relaxation as a Function of Halogen Substitution in Benzene sulfonamides: A Theoretical Study
inferred← citeshttps://doi.org/10.1016/j.cplett.2023.141020openalex-snapshot
A computational study on heat flow and thermostability of thermophilic and mesophilic proteins
inferred← citeshttps://doi.org/10.1021/acs.jpcb.6c00460openalex-snapshot
Redox-Dependent Vibrational Energy Flow in Amicyanin Revealed by Molecular Dynamics Simulations
inferred← citeshttps://doi.org/10.1039/d4cp04465gopenalex-snapshot
Revisiting the electron transfer pathways between amicyanin and cytochrome c from a theoretical perspective
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Exploring the influence of water molecules on modulating the functional dynamics of amicyanin: a computational investigation
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