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at the molecular scale. Grand Canonical Monte Carlo (GCMC) simulations will be performed to predict adsorption isotherms and selectivities. Molecular dynamics simulations will be used to investigate diffusion
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-EM Single Particle Datasets Using 3D-to-2D Flexible Fitting based on Molecular Dynamics Simulation. J Mol Biol, 2023. 435(9): p. 167951.https://hal.science/hal-03929029 [3] Valimehr, S., et al
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The University of North Carolina at Chapel Hill | Chapel Hill, North Carolina | United States | 16 days ago
://www.med.unc.edu/pharm/directory/yinglong-miao/) is looking for two highly motivated Postdoctoral fellows to work on accelerated molecular simulations and AI-driven drug discovery. Research projects in the Miao Lab
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degradation or depolymerization Experience in bioinformatics, molecular modeling, or simulations Experience in experimental protein or enzyme characterization Track record of scientific publications and
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nm) and over long timescales (10-100ps). To meet these objectives this project aims to further develop our recently introduced non-adiabatic molecular dynamics simulation method, termed excitonic state
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Sehgal at the University of Pennsylvania, focuses on the genetic and molecular mechanisms underlying sleep and circadian rhythms. The lab uses a combination of model organisms, including Drosophila and
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systems, biomolecular interfaces, and catalytic processes. The project will use molecular dynamics simulations to understand molecular mechanisms of metal-based antimicrobial systems and biomolecular
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Cryo-EM Single Particle Datasets Using 3D-to-2D Flexible Fitting based on Molecular Dynamics Simulation. J Mol Biol. 2023;435:167951. https://hal.science/hal-03929029 [3] Valimehr S, Vuillemot R, Kazemi
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Datasets Using 3D-to-2D Flexible Fitting based on Molecular Dynamics Simulation. J Mol Biol. 2023;435:167951. https://hal.science/hal-03929029 [3] Valimehr S, Vuillemot R, Kazemi M, Jonic S, Rouiller I
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Your Job: Healthy brain function relies on dynamic changes at the synapse. The relevant synaptic turnover and plasticity processes span spatial scales from the molecular up to the network level, and