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-chemical-physics/ ) led by Prof. Alexandre Tkachenko at the Department of Physics and Material Science, we are looking for a PhD candidate to perform molecular dynamics simulations of different genetic
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, there is no consensus on the adsorption mechanisms of these molecules on the metallic surfaces. In this PhD project we will use state-of-art molecular simulation methods [2,3] to clarify the adsorption and
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RAP opportunity at National Institute of Standards and Technology NIST Models and Protocols for Accelerated Simulations of Molecular Interactions and Dynamics Location Information Technology
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macromolecular dynamics with statistical mechanics, molecular simulation at different resolutions, machine learning, and experimental data. Our group works on the definition and implementation of strategies
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We are seeking a Postdoctoral Research Associate to support our projects to understand membrane evolution. The aim of this project is to use molecular dynamic simulations to understand membrane
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chemistry and molecular simulation methods to investigate the determinants of enzyme dynamics, activity and inhibition. This project uses molecular simulations to investigate how enzymes function, how
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) molecular dynamics simulations; and 3) high-performance computing environments. Prior programming experience is preferred but not required. The postdoctoral scientist will design, perform, and develop new
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of computational chemistry and molecular simulation methods to investigate the determinants of enzyme dynamics, activity and inhibition. This project uses molecular simulations to investigate how enzymes function
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of computational chemistry and molecular simulation methods to design, model and investigate protein dynamics and activity. This project uses molecular simulations to investigate protein structure, dynamics
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-probe photoelectron spectroscopy to identify candidates for excitonic insulators •Doping of the above materials by adsorption of molecular donors and/or acceptors to tune correlation and dynamic response