Hoạt động khoa học
Seminar
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Seminar Trung tâm Vật lý tính toán: | |
| Tên báo cáo | Molecular Dynamic simulation of proteins using GROMACS |
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| Người trình bày | Ths. Trần Thanh Thúy |
| Cơ quan | Viện Vật lý |
| Ngày | Thứ Ba, 23-04-2013 |
| Giờ | 10:00AM |
| Địa điểm | Phòng họp tầng 1, Viện Vật lý, 10 Đào Tấn, Ba Đình, Hà Nội |
| Tóm tắt | 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. |