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» Multipolar representation of protein structure
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SMA
2009
ACM
137views Solid Modeling» more  SMA 2009»
14 years 14 days 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...
JIB
2008
87views more  JIB 2008»
13 years 6 months ago
2.5D Visualisation of Overlapping Biological Networks
Biological data is often structured in the form of complex interconnected networks such as protein interaction and metabolic networks. In this paper, we investigate a new problem ...
David Cho Yau Fung, Seok-Hee Hong, Dirk Koschü...
BIOINFORMATICS
2007
151views more  BIOINFORMATICS 2007»
13 years 6 months ago
A new protein-protein docking scoring function based on interface residue properties
Motivation: Protein–protein complexes are known to play key roles in many cellular processes. However, they are often not accessible to experimental study because of their low s...
Julie Bernauer, Jérôme Azé, Jo...
BMCBI
2006
172views more  BMCBI 2006»
13 years 6 months ago
BioWarehouse: a bioinformatics database warehouse toolkit
Background: This article addresses the problem of interoperation of heterogeneous bioinformatics databases. Results: We introduce BioWarehouse, an open source toolkit for construc...
Thomas J. Lee, Yannick Pouliot, Valerie Wagner, Pr...
BMCBI
2006
118views more  BMCBI 2006»
13 years 6 months ago
Exploration of biological network centralities with CentiBiN
Background: The elucidation of whole-cell regulatory, metabolic, interaction and other biological networks generates the need for a meaningful ranking of network elements. Central...
Björn H. Junker, Dirk Koschützki, Falk S...