Revisiting the "satisfaction of spatial restraints" approach of MODELLER for protein homology modeling.

ABSTRACT: The most frequently used approach for protein structure prediction is currently homology modeling. The 3D model building phase of this methodology is critical for obtaining an accurate and biologically useful prediction. The most widely employed tool to perform this task is MODELLER. This program implements the "modeling by satisfaction of spatial restraints" strategy and its core algorithm has not been altered significantly since the early 1990s. In this work, we have explored the idea of modifying MODELLER with two effective, yet computationally light strategies to improve its 3D modeling performance. Firstly, we have investigated how the level of accuracy in the estimation of structural variability between a target protein and its templates in the form of σ values profoundly influences

SUBMITTER: Janson G 

PROVIDER: S-EPMC6938380 | biostudies-literature | 2019 Dec

REPOSITORIES: biostudies-literature