Molecular Skin Surface-Based Transformation Visualization between Biological Macromolecules.

ABSTRACT: Molecular skin surface (MSS), proposed by Edelsbrunner, is a C² continuous smooth surface modeling approach of biological macromolecules. Compared to the traditional methods of molecular surface representations (e.g., the solvent exclusive surface), MSS has distinctive advantages including having no self-intersection and being decomposable and transformable. For further promoting MSS to the field of bioinformatics, transformation between different MSS representations mimicking the macromolecular dynamics is demanded. The transformation process helps biologists understand the macromolecular dynamics processes visually in the atomic level, which is important in studying the protein structures and binding sites for optimizing drug design. However, modeling the transformation

SUBMITTER: Yan K 

PROVIDER: S-EPMC5415869 | biostudies-literature | 2017

REPOSITORIES: biostudies-literature