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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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simulations. Two complementary strategies will be employed: structure-based virtual screening (docking simulations + molecular dynamics) and ligand-based virtual screening (machine learning models). We have
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Join us to pioneer next-generation generative models that accelerate molecular dynamics. We seek a postdoctoral researcher to develop AI surrogates for molecular dynamics (MD), slashing
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, or a closely related discipline with a strong academic record Genuine interest in data-driven and physics-based modeling, molecular simulations, and their application to bioprocesses and bioseparations
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the University of Warwick. Project outline: Modelling light-driven processes and charge transfer across molecule-metal interfaces is instrumental for the development of next-generation molecular optoelectronic
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molecular, cellular, biochemical, genetic, imaging approaches to assist graduate students, postdoctoral fellows and research scientists in testing molecular and genetic tools in animal models; be involved in
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to investigate molecular mechanisms of autophagy and mitophagy Apply biochemical and molecular approaches (e.g., protein interaction studies, signalling pathway analysis) Develop and/or utilize in vivo models
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Multiscale modeling of complex electrostatic processes in heterogeneous molecular environments NIST only participates in the February and August reviews. Molecular ionization, ion pairing, transport
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have experience developing and running large numerical models and analysing complex datasets? Would you like to work with a world-leading team at Leeds to connect molecular-scale insight to cloud-scale
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molecular docking, molecular dynamics and free-energy methods (MD/FEP), machine learning for molecular design, and protein–ligand modelling. Experience bridging computational and experimental groups, and the