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BMCBI
2010
105views more  BMCBI 2010»
14 years 9 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
2010
205views more  BMCBI 2010»
14 years 9 months ago
A fast indexing approach for protein structure comparison
Background: Protein structure comparison is a fundamental task in structural biology. While the number of known protein structures has grown rapidly over the last decade, searchin...
Lei Zhang, James Bailey, Arun Siddharth Konagurthu...
BMCBI
2010
113views more  BMCBI 2010»
14 years 9 months ago
Efficient protein alignment algorithm for protein search
Background: Proteins show a great variety of 3D conformations, which can be used to infer their evolutionary relationship and to classify them into more general groups; therefore ...
Zaixin Lu, Zhiyu Zhao, Bin Fu
BMCBI
2010
121views more  BMCBI 2010»
14 years 9 months ago
Knowledge-based annotation of small molecule binding sites in proteins
Background: The study of protein-small molecule interactions is vital for understanding protein function and for practical applications in drug discovery. To benefit from the rapi...
Ratna R. Thangudu, Manoj Tyagi, Benjamin A. Shoema...
BMCBI
2007
93views more  BMCBI 2007»
14 years 9 months ago
Representing default knowledge in biomedical ontologies: application to the integration of anatomy and phenotype ontologies
Background: Current efforts within the biomedical ontology community focus on achieving interoperability between various biomedical ontologies that cover a range of diverse domain...
Robert Hoehndorf, Frank Loebe, Janet Kelso, Heinri...
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