A journey into computational protein design: Novel simulation methods development, physical origins of disease mutants, and therapeutic design for neurodegenerative diseases and COVID19
Event Start:
2023-06-15T09:00:00
Event End:
2023-06-15T11:00:00
Event Information:
My research aims to advance the development pipeline of protein and peptide therapeutics from a biophysical perspective, and covers a spectrum of contributions from methodologies to applications. For methodology contributions, I have developed an unbiased molecular dynamics (MD) simulation tool, Reservoir REMD, and integrated it into GROMACS. It has been benchmarked and shown to give the same results for different initial conformations, even when starting the simulation from a kinetically trapped initial state.
Event Location:
Hennings 318
Speaker:
Shawn Hsueh(PhD student)
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Event Start:
2023-06-15T09:00:00
Event End:
2023-06-15T11:00:00
A journey into computational protein design: Novel simulation methods development, physical origins of disease mutants, and therapeutic design for neurodegenerative diseases and COVID19
Event Information:
My research aims to advance the development pipeline of protein and peptide therapeutics from a biophysical perspective, and covers a spectrum of contributions from methodologies to applications. For methodology contributions, I have developed an unbiased molecular dynamics (MD) simulation tool, Reservoir REMD, and integrated it into GROMACS. It has been benchmarked and shown to give the same results for different initial conformations, even when starting the simulation from a kinetically trapped initial state.
Event Location:
Hennings 318