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» Graph Transformation in Molecular Biology
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CIBCB
2006
IEEE
15 years 5 months ago
A Stochastic model to estimate the time taken for Protein-Ligand Docking
Abstract— Quantum mechanics and molecular dynamic simulation provide important insights into structural configurations and molecular interaction data today. To extend this atomi...
Preetam Ghosh, Samik Ghosh, Kalyan Basu, Sajal K. ...
KDD
2009
ACM
132views Data Mining» more  KDD 2009»
16 years 7 days ago
Learning patterns in the dynamics of biological networks
Our dynamic graph-based relational mining approach has been developed to learn structural patterns in biological networks as they change over time. The analysis of dynamic network...
Chang Hun You, Lawrence B. Holder, Diane J. Cook
COMPGEOM
2005
ACM
15 years 1 months ago
Dynamic maintenance of molecular surfaces under conformational changes
We present an efficient algorithm for maintaining the boundary and surface area of protein molecules as they undergo conformational changes. We also describe a robust implementati...
Eran Eyal, Dan Halperin
IAJIT
2006
109views more  IAJIT 2006»
14 years 11 months ago
Unconstraint Assignment Problem: A Molecular Computing Approach
: Deoxyribonucleic Acid or DNA-based computing is an emerging field that bridging the gap between chemistry, molecular biology, computer science, and mathematics. This research are...
Zuwairie Ibrahim, Yusei Tsuboi, Osamu Ono, Marzuki...
BMCBI
2010
183views more  BMCBI 2010»
14 years 11 months ago
SING: Subgraph search In Non-homogeneous Graphs
Background: Finding the subgraphs of a graph database that are isomorphic to a given query graph has practical applications in several fields, from cheminformatics to image unders...
Raffaele Di Natale, Alfredo Ferro, Rosalba Giugno,...