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to increase usage by the community. [1] https://doi.org/10.1039/C9SM01877H [2] https://doi.org/10.1063/1.5123683 [3] https://doi.org/10.6028/jres.123.004 key words Molecular simulation; Monte Carlo
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underlying these processes remain poorly represented. This PhD project aims to fill that gap by using molecular simulations to quantify the interactions of SOM and EPS with water and minerals, and to connect
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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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, the primary unit of chromatin, using classical all-atom molecular dynamics simulations. The nucleosome is composed of a double-stranded DNA fragment wrapped around a protein core consisting of eight histones
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/ To apply, please provide CV Copy of degree certificate Cover letter (a letter motivating the application) Two contacts for recommendation Where to apply Website https://docs.google.com/forms/d/e/1FAIpQLSeSW
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the mechanical behavior of these materials at the nanoscale. Subsequently, a molecular dynamics model will be developed to simulate the matrix–nanotube interaction, analyzing the effects of adhesion, orientation
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biochemistry and molecular biology research, and aims to provide world-class education. https://www.iq.usp.br/portaliqusp/?q=en/biochemistry/about Applications are welcome from candidates whose expertise
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within research and education. The following will strengthen your application: Familiarity with any of: molecular simulation methods (integrators, force fields, enhanced sampling), structural biology
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receptor based on existing crystallographic data and perform molecular docking for ligand optimization • perform extensive molecular dynamics (MD) simulations (AMBER, NAMD, GROMACS) in fully hydrated
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optimization code used, particularly for automated transition state searches. • Perform molecular dynamics simulations to estimate thermodynamic/macroscopic properties. IPREM brings together over 300 staff