Abstract—Docking simulates molecular interactions. Protein - protein docking, owing to the sizes of molecules, is a very challenging problem. As the number of degrees of freedom ...
Frequent sub-graph mining entails two significant overheads. The first is concerned with candidate set generation. The second with isomorphism checking. These are also issues with ...
Discovering local geometry of low-dimensional manifold embedded into a high-dimensional space has been widely studied in the literature of machine learning. Counter-intuitively, w...
In the present work we describe architectural concepts of the distributed molecular simulation package GridMD. The main purpose of this work is to underline the construction patter...
: We propose a new feature selection strategy based on rough sets and Particle Swarm Optimization (PSO). Rough sets has been used as a feature selection method with much success, b...
Xiangyang Wang, Jie Yang, Xiaolong Teng, Weijun Xi...