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BMCBI
2010
190views more  BMCBI 2010»
15 years 6 months ago
APIS: accurate prediction of hot spots in protein interfaces by combining protrusion index with solvent accessibility
Background: It is well known that most of the binding free energy of protein interaction is contributed by a few key hot spot residues. These residues are crucial for understandin...
Jun-Feng Xia, Xing-Ming Zhao, Jiangning Song, De-S...
BMCBI
2010
105views more  BMCBI 2010»
15 years 6 months ago
A knowledge-guided strategy for improving the accuracy of scoring functions in binding affinity prediction
Background: Current scoring functions are not very successful in protein-ligand binding affinity prediction albeit their popularity in structure-based drug designs. Here, we propo...
Tiejun Cheng, Zhihai Liu, Renxiao Wang
BMCBI
2007
140views more  BMCBI 2007»
15 years 6 months ago
From genes to functional classes in the study of biological systems
Background: With the popularisation of high-throughput techniques, the need for procedures that help in the biological interpretation of results has increased enormously. Recently...
Fátima Al-Shahrour, Leonardo Arbiza, Hern&a...
BMCBI
2010
139views more  BMCBI 2010»
15 years 6 months ago
A global optimization algorithm for protein surface alignment
Background: A relevant problem in drug design is the comparison and recognition of protein binding sites. Binding sites recognition is generally based on geometry often combined w...
Paola Bertolazzi, Concettina Guerra, Giampaolo Liu...
BMCBI
2010
149views more  BMCBI 2010»
15 years 6 months ago
RuleMonkey: software for stochastic simulation of rule-based models
Background: The system-level dynamics of many molecular interactions, particularly protein-protein interactions, can be conveniently represented using reaction rules, which can be...
Joshua Colvin, Michael I. Monine, Ryan N. Gutenkun...