Homepage|Introduction|Academy Committee|Faculty Members
Research Fields|Main Research Projects|International Academic Exchanges|Facilities
 
    Members

New methods of dynamics simulations for molecular-biomacromolecular interaction

2015年04月06日 16:47  点击:[]

This project is to study the new methods of molecular dynamics simulations for ligand and receptor interaction, establish reasonable optimization models, develop efficient numerical algorithms by using evolutionary algorithms, response surface methodology together with traditional optimization methods. By introducing the dual mixed variables the symplectic algorithms of molecular dynamics will be proposed and developed them to the asynchronous parallel systematic methodology. To be oriented with engineering applications, the above-mentioned developments will be finally integrated to produce applied software for biochemistry analysis and drug design, which can simulate the interaction and motion among the molecule in a large system speedily and efficiently.

上一条:Mechanism of Nanometer Oxides Detonation Synthesis 下一条:Research on the boundary-conformity problem of Constrained Delaunay Tetrahedralization and the convergence problem of Advancing Front Technique in three dimensional mesh generation for finite element analysis

关闭

Address: Dalian University of Technology    Dalian 116023, P.R.China    Phone: 86-411-84708393
Mailto:lsai@dlut.edu.cn    Copyright © 2008 All Rights Reserved    Designed by NWEI.com