PHYS 7 |
| The refinement of template-based protein structures obtained from comparative modeling techniques to near-experimental accuracy remains a great challenge in current protein structure prediction efforts. An iterative protocol that combines an efficient sampling procedure with a reliable scoring method is explored. Structure refinement is possible with such a protocol if the sampling function is able to generate at least some more native-like conformations at each cycle and if the scoring function is able to identify these conformations at least most of the time. Different sampling strategies including coarse-grained models, normal-mode based sampling and molecular dynamics simulations are compared and tested in the context of structure refinement with a number of scoring functions.
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Structural Determination, Refinement, and Modeling of Large Biomolecular Complexes
8:00 AM-12:00 PM, Sunday, August 19, 2007 BCEC -- 157C, Oral
Division of Physical Chemistry |