MOLECULAR DYNAMICS SIMULATIONS OF PROTEIN FOLDING

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This subproject is one of many research subprojects utilizing the resources provided by a Center grant funded by NIH/NCRR. The subproject and investigator (PI) may have received primary funding from another NIH source, and thus could be represented in other CRISP entries. The institution listed is for the Center, which is not necessarily the institution for the investigator. One of the most significant advances in computational biology today deals with the protein folding problem: how the sequence of a protein specifies its folded structure (and thus, function). Efforts to study the folding process of proteins computationally are hampered by the fact that protein folding generally requires tens of microseconds or longer, periods which until recently were unattainable through simulation. However, thanks to extremely fortunate advances in parallel molecular dynamics simulations, the full folding process of proteins can now be studied computationally (http://www.ks.uiuc.edu/Research/folding).