Featured Research

from universities, journals, and other organizations

Molecular geometry, new field in the making

Date:
March 21, 2013
Source:
Hanyang University
Summary:
Scientists are working towards creating a new field called Molecular Geometry which provides geometrical solutions within the study of molecules.

Professor Deok-Soo Kim of the Department of Industrial Engineering is a pioneer in adapting the Voronoi Diagram for 3D Spheres in biological molecules.
Credit: Image courtesy of Hanyang University

Professor Deok-Soo Kim of Hanyang University is working towards creating a new field called Molecular Geometry which provides geometrical solutions within the study of molecules.

Professor Deok-Soo Kim of the Department of Industrial Engineering is a pioneer in adapting the Voronoi Diagram for 3D Spheres in biological molecules. Prof. Kim is also the creator of BetaMol, a molecular modeling, analyzing, and processing software based on the theory of the Voronoi diagram, quasi-triangulation, and the Beta-complex. His publications include "Protein Structure Optimization by Side-chain Positioning via Beta-complex" in the Journal of Global Optimization; "BetaMol: a molecular modeling, analysis and visualization software based on the beta-complex and the quasi-triangulation" in the Journal of Advanced Mechanical Design, Systems, and Manufacturing; and "Beta-decomposition for the Volume and Area of the Union of Three-dimensional Balls and Their Offsets" in the Journal of Computational Chemistry.

The Voronoi Diagram is a set of Voronoi regions that are closer to a corresponding object than any other objects. By being able to express the spatial information of particles, it provides an effective and quick solution to geometrical problems.

While the Voronoi Diagram has been researched in two dimensional structures, Kim initiated and succeeded in the field of three dimensional spheres. Throughout the years, Kim's theories and systems have provided a foundation to analyze the structure of particles with speed and effectiveness. Kim, an industrial engineer, has broadened his interest to the field of molecular biology, in order to solve problems faced in application.

Properly understanding the information of a molecular surface assists in the calculation of the molecule's energy. This is a common challenge faced by numerous biochemists. Because the task of determining the surface is a geometrical issue, by using the systems developed by Kim, individuals can greatly reduce both time and effort and thus focus on other issues rather than on the geometry. At the moment, Kim's theory is being used by numerous institutions and individuals.

Docking is important in the area of molecular modeling and is essential for the development of pharmaceutics. While continued research has been conducted by others, noticeable positive results have been generated particularly when using Kim's method.

Through his method, Kim hopes to design proteins by means of protein modification in the future. While a variety of software exists for protein modification, they are still in their inchoate stage. To enhance and enable the reduction of time and effort with more effectiveness, Kim will attempt to create a new system which is embedded with his own methods.

In addition, Kim is striving to create a new field called 'Molecular Geometry.' To overcome the obstacles related to geometrical issues faced by individuals devoted to the study of molecules, Kim's 'Molecular Geometry' aims at providing geometrical solutions within the spectrum of molecules. Kim has recently conducted a lecture and seminar at the IBM Thomas J. Watson Research Center and New York University's Courant Institute of Mathematical Sciences. One third of the progress needed to create 'Molecular Geometry' has been completed and future research is still necessary. However, Kim believes that the establishment of his proposed new field will have a major impact in a wide range of fields.


Story Source:

The above story is based on materials provided by Hanyang University. The original article was written by Jisoo Lee. Note: Materials may be edited for content and length.


Cite This Page:

Hanyang University. "Molecular geometry, new field in the making." ScienceDaily. ScienceDaily, 21 March 2013. <www.sciencedaily.com/releases/2013/03/130321081335.htm>.
Hanyang University. (2013, March 21). Molecular geometry, new field in the making. ScienceDaily. Retrieved October 20, 2014 from www.sciencedaily.com/releases/2013/03/130321081335.htm
Hanyang University. "Molecular geometry, new field in the making." ScienceDaily. www.sciencedaily.com/releases/2013/03/130321081335.htm (accessed October 20, 2014).

Share This



More Matter & Energy News

Monday, October 20, 2014

Featured Research

from universities, journals, and other organizations


Featured Videos

from AP, Reuters, AFP, and other news services

Gulfstream G500, G600 Unveiling

Gulfstream G500, G600 Unveiling

Flying (Oct. 20, 2014) Watch Gulfstream's public launch of the G500 and G600 at their headquarters in Savannah, Ga., along with a surprise unveiling of the G500, which taxied up under its own power. Video provided by Flying
Powered by NewsLook.com
Japanese Scientists Unveil Floating 3D Projection

Japanese Scientists Unveil Floating 3D Projection

Reuters - Innovations Video Online (Oct. 20, 2014) Scientists in Tokyo have demonstrated what they say is the world's first 3D projection that floats in mid air. A laser that fires a pulse up to a thousand times a second superheats molecules in the air, creating a spark which can be guided to certain points in the air to shape what the human eye perceives as an image. Matthew Stock reports. Video provided by Reuters
Powered by NewsLook.com
Hey, Doc! Sewage, Beer and Food Scraps Can Power Chevrolet’s Bi-Fuel Impala

Hey, Doc! Sewage, Beer and Food Scraps Can Power Chevrolet’s Bi-Fuel Impala

3BL Media (Oct. 20, 2014) Hey, Doc! Sewage, Beer and Food Scraps Can Power Chevrolet’s Bi-fuel Impala Video provided by 3BL
Powered by NewsLook.com
What We Know About Microsoft's Rumored Smartwatch

What We Know About Microsoft's Rumored Smartwatch

Newsy (Oct. 20, 2014) Microsoft will reportedly release a smartwatch that works across different mobile platforms, has a two-day battery life and tracks heart rate. Video provided by Newsy
Powered by NewsLook.com

Search ScienceDaily

Number of stories in archives: 140,361

Find with keyword(s):
Enter a keyword or phrase to search ScienceDaily for related topics and research stories.

Save/Print:
Share:

Breaking News:

Strange & Offbeat Stories


Space & Time

Matter & Energy

Computers & Math

In Other News

... from NewsDaily.com

Science News

Health News

Environment News

Technology News



Save/Print:
Share:

Free Subscriptions


Get the latest science news with ScienceDaily's free email newsletters, updated daily and weekly. Or view hourly updated newsfeeds in your RSS reader:

Get Social & Mobile


Keep up to date with the latest news from ScienceDaily via social networks and mobile apps:

Have Feedback?


Tell us what you think of ScienceDaily -- we welcome both positive and negative comments. Have any problems using the site? Questions?
Mobile: iPhone Android Web
Follow: Facebook Twitter Google+
Subscribe: RSS Feeds Email Newsletters
Latest Headlines Health & Medicine Mind & Brain Space & Time Matter & Energy Computers & Math Plants & Animals Earth & Climate Fossils & Ruins