UNLABELLED Motivation. Protein design aims to identify sequences compatible with a given protein fold but incompatible to any alternative folds. To select the correct sequences and to guide the search process, a design scoring function is critically important. Such a scoring function should be able to characterize the global fitness landscape of many proteins simultaneously. RESULTS To find o...

Efficiently sampling the protein conformation space is a critical step in de novo protein structure modeling. One of the important challenges in sampling is the inaccuracy of available scoring functions, i.e., a scoring function is not always sufficiently accurate to distinguish the correct conformations from the alternatives and thereby exploring the very minimum of a scoring function does not...