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Field
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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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Job Description Job Responsibilities -Conduct molecular dynamic (MD) simulations of the interactions of biological toxins including alpha-toxin, pyocyanin, and pyoverdine with clay natural and modified
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more than 300 researchers, engineers, and students working across analytical chemistry, physico‑chemistry, environmental science, and materials science. CAPT combines quantum chemistry, molecular dynamics
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a cutting-edge project unraveling the molecular dynamics of phage-bacteria warfare to combat antibiotic resistance! The project aims to study fundamental molecular mechanisms of how phages interact
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protein structure predictions, ligand docking (diffdock, autodock) and explore dynamics of enzyme-substrate complexes in solvated environments Set up and run molecular dynamics simulations (using AMBER
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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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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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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