Computating Connolly surface of a protein via tracking its boundary curves based on Euclidean Voronoi diagram

• 영문명: Computating Connolly surface of a protein via tracking its boundary curves based on Euclidean Voronoi diagram
• 발행기관: 한국산업경영시스템학회
• 저자명: Joonghyun Ryu Rhohun Park Deok-Soo Kim
• 간행물 정보: 『한국산업경영시스템학회 학술대회』2005년 춘계학술대회 논문집, 91~95쪽, 전체 5쪽
• 주제분류: 공학 > 산업공학
• 파일형태: PDF
• 발행일자: 2005.05.01

영문 초록

  Given a protein, it is often necessary to study its geometric and physicochemical properties for studying its structure and predicting funtions of a protein. In this case, a connolly surface of a protein plays important roles for these purpose. A protein consists of a set of amino acids and a set of atoms comprise an amino acide. Since an atom can be represented by a hard 3D sphere in van der Waals model, a protein is usually modeled as a set of 3D spheres. In this paper, we present the algorithm for computing a connolly surface using Euclidean Voronoi diagram atoms of a protein. The algorithm initially locates the exterior aotms of a protein where connolly surface patches exist and computes the patches by tracking their boundary curves. Since a Euclidean Voronoi diagram is uniquely defined independent of probe radius different from other geometric structures, the connolly surfaces defined by probes of different radii can be computed without re-computing the Euclidean Voronoi diagram.

목차

Abstract
1. INTRODUCTION
2. CONNOLLY SURFACE
3. LOCATING THE EXTERIOR ATOMS OF A PROTEIN
4. COMPUTING SURFACE PATCHES
5. CONCLUSION
ACKNOWLEDGEMENT
REFERENCES

키워드

Protein Connolly surface Eulidean Voronoi diagram