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BMCBI
2008
155views more  BMCBI 2008»
15 years 5 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
2006
155views more  BMCBI 2006»
15 years 4 months ago
CAVER: a new tool to explore routes from protein clefts, pockets and cavities
Background: The main aim of this study was to develop and implement an algorithm for the rapid, accurate and automated identification of paths leading from buried protein clefts, ...
Martin Petrek, Michal Otyepka, Pavel Banás,...
ENTCS
2006
146views more  ENTCS 2006»
15 years 4 months ago
Relating State-Based and Process-Based Concurrency through Linear Logic
This paper has the purpose of reviewing some of the established relationships between logic and concurrency, and of exploring new ones. Concurrent and distributed systems are noto...
Iliano Cervesato, Andre Scedrov
BMCBI
2007
102views more  BMCBI 2007»
15 years 4 months ago
Setting up a large set of protein-ligand PDB complexes for the development and validation of knowledge-based docking algorithms
Background: The number of algorithms available to predict ligand-protein interactions is large and ever-increasing. The number of test cases used to validate these methods is usua...
Luis A. Diago, Persy Morell, Longendri Aguilera, E...
CORR
2004
Springer
151views Education» more  CORR 2004»
15 years 4 months ago
Finite-Tree Analysis for Constraint Logic-Based Languages: The Complete Unabridged Version
Logic languages based on the theory of rational, possibly infinite, trees have much appeal in that rational trees allow for faster unification (due to the safe omission of the occ...
Roberto Bagnara, Roberta Gori, Patricia M. Hill, E...