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Field
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spectroscopy and molecular dynamics simulations: We develop and apply novel ultrafast spectroscopic methods aimed at uncovering how changes in light, environment and structure switch the function of photoactive
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with molecular simulation tools (GROMACS, CHARMM, etc) and/or multiscale and coarse-grained approaches, such as Normal Mode Analysis, Brownian Dynamics, etc. are a prerequisite. Extensive expertise in
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developing a protocol gathering an array of state of-the-art computational techniques: ab initio methods, molecular dynamics, enhanced sampling techniques (metadynamics, umbrella sampling) and machine learning
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and/or OpenMM. Experience in developing coarse-grained models, polymer models, and/or in developing and applying Molecular Dynamics and/or Monte Carlo simulations to biomolecular systems or condensed
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Profound scientific knowledge and experience in: protein crystal structure analysis virtual screening, ensemble docking, molecular dynamics simulations ligand-protein interactions, protein-protein
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, Chemistry, Physics, Pharmacy, or a related discipline with expertise in computation, molecular dynamics simulation, and statistical mechanics. For a further description of current research projects see https
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, bioengineering, or a closely related field, with a strong interest in biological systems are particularly encouraged to apply. We seek candidates with expertise in some of the following areas: molecular dynamics
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. The problem with classical molecular dynamics is that for molecules of this size atomistic simulations can be done on the time scale of picoseconds but the time scale of important biological processes such as
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conduct fundamental research in chemical separations using computational methods, including free energy methods with molecular dynamics simulations. The position will focus on solution phase separations
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Center for Nanomedicine and Tissue Engineering | Tzab it adh, San Luis Potosi | Mexico | about 1 month ago
Milan and is focused on molecular dynamics of Peptides/PNA-based Nanomaterials. The Postdoctoral Researcher will be responsible for conducting computational simulations, analyzing data, and contributing