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uses long timescale molecular dynamics (MD) simulations, integrated with experimental observables (especially cryo-electron microscopy data), and machine learning tools to better capture the dynamics
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measure their mechanical, adhesive and frictional properties. By combining these data with classical molecular dynamics simulations and a molecular-scale approach to the thermodynamics of molecular
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preferred, but not required) are desired. Experiences with catalysis (biological, homogeneous, or heterogeneous), excited-state simulation methods, multiscale simulations (broadly defined), molecular dynamics
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with us! Project description: Ability to study protein dynamics real-time is crucial for understanding biological processes at the molecular level, providing insights into protein function, interactions
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programme Is the Job related to staff position within a Research Infrastructure? No Offer Description Molecular simulations are essential for exploring the kinetic properties of physico-chemical systems, yet
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technology are listed on https://www.heliabiomonitoring.com/publications . The MBx group has trans-disciplinary research approaches, including molecular bioengineering, advanced data analysis, and optical
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such as combinatorial sampling, molecular dynamics, and quantum computing. City: Piscataway State: NJ Physical Demands and Work Environment: PHYSICAL DEMANDS: Standing, sitting, walking, talking or hearing
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-based methodologies for protein structure prediction and conformational ensamble • Molecular docking and cofolding • Molecular Dynamics simulations • Enhanced sampling Molecular Dynamics simulations Your
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microstructures with elastic interactions". Modelling and Simulation in Materials Science and Engineering 30 p.085013 (2022). Techniques used: Molecular dynamics with interaction potentials, object kinetic Monte
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group of researchers addressing complementary topics and methodology such as Experimental calibrations of volatile solubility laws, Molecular Dynamic simulations of silicate melts, Petrology of melting