Activities
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Seminars
| Seminar on Theoretical and Computational Physics:
| | Title | Molecular Dynamic simulation of proteins using GROMACS
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| Speaker | M.Sc. Tran Thanh Thuy
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| Affiliation | Institute of Physics
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| Date | Tuesday, 23-04-2013
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| Time | 10:00AM
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| Location | Meeting room, 1st floor, IOP, 10 Dao Tan, Ba Dinh, Ha Noi
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| Abstract | Molecular dynamic simulation is very powerful tool in modern molecular modeling, enables us to understand structure, dynamics with extreme detail – literally on scales where motion of individual atoms can be tracked. Gromacs is a vigorous software to perform molecular dynamic simulations and energy minimization that respectively optimize structure and simulate the natural motion of biological systems. In the presentation, I will introduce molecular dynamic simulation with Gromacs and represent its application for investigating the dynamic phase transition of protein as well as constructing the free energy landscape, identifying the metastable states of peptides.
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