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» Agent-based protein structure prediction
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BMCBI
2008
155views more  BMCBI 2008»
14 years 9 months ago
AMMOS: Automated Molecular Mechanics Optimization tool for in silico Screening
Background: Virtual or in silico ligand screening combined with other computational methods is one of the most promising methods to search for new lead compounds, thereby greatly ...
Tania Pencheva, David Lagorce, Ilza Pajeva, Bruno ...
BMCBI
2007
115views more  BMCBI 2007»
14 years 9 months ago
Recognizing protein-protein interfaces with empirical potentials and reduced amino acid alphabets
Background: In structural genomics, an important goal is the detection and classification of protein–protein interactions, given the structures of the interacting partners. We h...
Guillaume Launay, Raul Mendez, Shoshana J. Wodak, ...
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ECCB
2008
IEEE
15 years 4 months ago
Functional coherence in domain interaction networks
Motivation: Extracting functional information from protein–protein interactions (PPI) poses significant challenges arising from the noisy, incomplete, generic and static nature...
Jayesh Pandey, Mehmet Koyutürk, Shankar Subra...
IPPS
2007
IEEE
15 years 3 months ago
Experiments with a Software Component Enabling NetSolve with Direct Communications in a Non-Intrusive and Incremental Way
The paper presents a software component that enables NetSolve with direct communications between servers in a non-intrusive and incremental way. Non-intrusiveness means that the s...
Xin Zuo, Alexey L. Lastovetsky
ICCS
2005
Springer
15 years 3 months ago
A Computational Model of Micro-vascular Growth
In order to supply a growing tissue with oxygen and nutrients and to remove its metabolic wastes, blood vessels penetrating the tissue are formed. Multiple mechanisms are involved ...
Dominik Szczerba, Gábor Székely