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SMA
2009
ACM
137views Solid Modeling» more  SMA 2009»
13 years 11 months ago
Hierarchical molecular interfaces and solvation electrostatics
Electrostatic interactions play a significant role in determining the binding affinity of molecules and drugs. While significant effort has been devoted to the accurate computat...
Chandrajit L. Bajaj, Shun-Chuan Albert Chen, Guoli...
ICRA
1999
IEEE
96views Robotics» more  ICRA 1999»
13 years 9 months ago
Examples of 3D Grasp Quality Computations
Previous grasp quality research is mainly theoretical, and has assumed that contact types and positions are given, in order to preserve the generality of the proposed quality meas...
Andrew T. Miller, Peter K. Allen
RECOMB
2004
Springer
14 years 5 months ago
Mining protein family specific residue packing patterns from protein structure graphs
Finding recurring residue packing patterns, or spatial motifs, that characterize protein structural families is an important problem in bioinformatics. To this end, we apply a nov...
Jun Huan, Wei Wang 0010, Deepak Bandyopadhyay, Jac...
BMCBI
2010
83views more  BMCBI 2010»
13 years 5 months ago
An effective approach for generating a three-Cys2His2 zinc-finger-DNA complex model by docking
Background: Determination of protein-DNA complex structures with both NMR and X-ray crystallography remains challenging in many cases. High Ambiguity-Driven DOCKing (HADDOCK) is a...
Chun-Chi Chou, M. Rajasekaran, Chinpan Chen
BMCBI
2010
151views more  BMCBI 2010»
13 years 5 months ago
Classification of G-protein coupled receptors based on support vector machine with maximum relevance minimum redundancy and gene
Background: Because a priori knowledge about function of G protein-coupled receptors (GPCRs) can provide useful information to pharmaceutical research, the determination of their ...
Zhanchao Li, Xuan Zhou, Zong Dai, Xiaoyong Zou