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ISMDA
2005
Springer
15 years 11 months ago
Extracting Molecular Diversity Between Populations Through Sequence Alignments
The use of sequence alignments for establishing protein homology relationships has an extensive tradition in the field of bioinformatics, and there is an increasing desire for more...
Steinar Thorvaldsen, Tor Flå, Nils Willassen
WSC
2008
15 years 8 months ago
Multi-resolution spatial simulation for molecular crowding
Spatial phenomena attract increasingly interest in computational biology. Molecular crowding, i.e. a dense population of macromolecules, is known to have a significant impact on t...
Matthias Jeschke, Adelinde M. Uhrmacher
ASPLOS
2009
ACM
16 years 6 months ago
GPU acceleration of a production molecular docking code
Abstract: Modeling the interactions of biological molecules, or docking, is critical to both understanding basic life processes and to designing new drugs. Here we describe the GPU...
Bharat Sukhwani, Martin C. Herbordt
ICCBR
2005
Springer
15 years 11 months ago
Knowledge Intensive Case Based Support for Automated Explanation of Biological Phenomena
The rapid growth of data stored in molecular biology-related databases has stimulated the development of integrative tools for retrieval and presentation of the data in the form of...
Waclaw Kusnierczyk, Agnar Aamodt, Astrid Læg...
ICCS
2004
Springer
15 years 11 months ago
Improved Sampling for Biological Molecules Using Shadow Hybrid Monte Carlo
Shadow Hybrid Monte Carlo (SHMC) is a new method for sampling the phase space of large biological molecules. It improves sampling by allowing larger time steps and system sizes in ...
Scott S. Hampton, Jesús A. Izaguirre