Sampling multiple scoring functions can improve protein loop structure prediction accuracy.

ABSTRACT: Accurately predicting loop structures is important for understanding functions of many proteins. In order to obtain loop models with high accuracy, efficiently sampling the loop conformation space to discover reasonable structures is a critical step. In loop conformation sampling, coarse-grain energy (scoring) functions coupling with reduced protein representations are often used to reduce the number of degrees of freedom as well as sampling computational time. However, due to implicitly considering many factors by reduced representations, the coarse-grain scoring functions may have potential insensitivity and inaccuracy, which can mislead the sampling process and consequently ignore important loop conformations. In this paper, we present a new computational sampling approach to obtain rea

SUBMITTER: Li Y 

PROVIDER: S-EPMC3211142 | biostudies-literature | 2011 Jul

REPOSITORIES: biostudies-literature