StructureMan: A Structure Manipulation Tool to Study Large Scale Biomolecular Interactions.

ABSTRACT: Studying biomolecular interactions is a crucial but challenging task. Due to their large scales, many biomolecular interactions are difficult to be simulated via all atom models. An effective approach to investigate the biomolecular interactions is highly demanded in many areas. Here we introduce a Structure Manipulation (StructureMan) program to operate the structures when studying the large-scale biomolecular interactions. This novel StructureMan tool provides comprehensive operations which can be utilized to study the interactions in various large biological systems. Combining with electrostatic calculation programs such as DelPhi and DelPhiForce, StructureMan was implemented to reveal the detailed electrostatic features in two large biological examples, the viral capsid and molecular m

SUBMITTER: Xian Y 

PROVIDER: S-EPMC7831659 | biostudies-literature | 2020

REPOSITORIES: biostudies-literature