Ontology highlight
ABSTRACT:
SUBMITTER: Troitzsch RZ
PROVIDER: S-EPMC2586571 | biostudies-literature | 2008 Dec
REPOSITORIES: biostudies-literature
Biophysical journal 20080912 11
Aqueous proline solutions are deceptively simple as they can take on complex roles such as protein chaperones, cryoprotectants, and hydrotropic agents in biological processes. Here, a molecular level picture of proline/water mixtures is developed. Car-Parrinello ab initio molecular dynamics (CPAIMD) simulations of aqueous proline amino acid at the B-LYP level of theory, performed using IBM's Blue Gene/L supercomputer and massively parallel software, reveal hydrogen-bonding propensities that are ...[more]