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» A structural keystone for drug design
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BMCBI
2006
135views more  BMCBI 2006»
14 years 11 months ago
Correcting ligands, metabolites, and pathways
Background: A wide range of research areas in bioinformatics, molecular biology and medicinal chemistry require precise chemical structure information about molecules and reaction...
Martin A. Ott, Gert Vriend
BMCBI
2010
135views more  BMCBI 2010»
14 years 11 months ago
HDAPD: a web tool for searching the disease-associated protein structures
Background: The protein structures of the disease-associated proteins are important for proceeding with the structure-based drug design to against a particular disease. Up until n...
Yi-Ruen Lin, Hsin-Yuan Wei, Tsung-Lin Tsai, Thy-Ho...
ICAISC
2010
Springer
15 years 1 months ago
Computer Assisted Peptide Design and Optimization with Topology Preserving Neural Networks
Abstract. We propose a non-standard neural network called TPNN which offers the direct mapping from a peptide sequence to a property of interest in order to model the quantitative ...
Jörg D. Wichard, Sebastian Bandholtz, Carsten...
BMCBI
2005
118views more  BMCBI 2005»
14 years 11 months ago
Variation in structural location and amino acid conservation of functional sites in protein domain families
Background: The functional sites of a protein present important information for determining its cellular function and are fundamental in drug design. Accordingly, accurate methods...
Birgit Pils, Richard R. Copley, Jörg Schultz
BMCBI
2008
114views more  BMCBI 2008»
14 years 11 months ago
Indel PDB: A database of structural insertions and deletions derived from sequence alignments of closely related proteins
Background: Insertions and deletions (indels) represent a common type of sequence variations, which are less studied and pose many important biological questions. Recent research ...
Michael Hsing, Artem Cherkasov