研究・研究者
研究会・セミナー
| 演 題 | 「Ultrafast folding proteins: experiment meets the Anton supercomputer」 |
|---|---|
| 日 時 | 2012年01月18日(水) 16:00 |
| 講演者 | Prof. Martin Gruebele（U. Illinois, Urbana-Champaign) |
| 場 所 | 研究棟201セミナー室 |
| 概 要 | As computers have pushed full-atom molecular dynamics simulations into the millisecond range, experiments have pushed protein folding into the microsecond range. The two approaches' capabilities now overlap in the size range from 30-80 amino acids, a good starting point for asking whether current force fields can accurately (< 1.8 Å error) reproduce native structure, whether they can yield folding times similar to experiments, or even make mechanistic predictions. At the same time, experimental data can be used to refine force fields further, so they can be applied successfully over longer time scales and to larger proteins. The holy grail is at about 150-200 amino acids, as larger proteins are then generally built-up from multiple domains of smaller size that fold relatively independently. I conclude by discussing the relationship of fast folding to protein evolution and folding within cells. |
| お問合せ先 | 斉藤真司、信定克幸 |
