Search Results - "Torrance, Gilleain"

The Chemistry Development Kit (CDK) v2.0: atom typing, depiction, molecular formulas, and substructure searching by Willighagen, Egon L., Mayfield, John W., Alvarsson, Jonathan, Berg, Arvid, Carlsson, Lars, Jeliazkova, Nina, Kuhn, Stefan, Pluskal, Tomáš, Rojas-Chertó, Miquel, Spjuth, Ola, Torrance, Gilleain, Evelo, Chris T., Guha, Rajarshi, Steinbeck, Christoph

“…Background The Chemistry Development Kit (CDK) is a widely used open source cheminformatics toolkit, providing data structures to represent chemical concepts…”
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Bioclipse 2: a scriptable integration platform for the life sciences by Spjuth, Ola, Alvarsson, Jonathan, Berg, Arvid, Eklund, Martin, Kuhn, Stefan, Mäsak, Carl, Torrance, Gilleain, Wagener, Johannes, Willighagen, Egon L, Steinbeck, Christoph, Wikberg, Jarl E S

“…Contemporary biological research integrates neighboring scientific domains to answer complex questions in fields such as systems biology and drug discovery…”
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A Novel Main Chain Motif in Proteins Bridged by Cationic Groups: The Niche by Torrance, Gilleain M., Leader, David P., Gilbert, David R., Milner-White, E. James

“…We have surveyed the bridging of pairs of main chain carbonyl oxygens by cations or by δ + hydrogens within hydrogen bonding groups. A three to four residue…”
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TOPS: an enhanced database of protein structural topology by Michalopoulos, Ioannis, Torrance, Gilleain M., Gilbert, David R., Westhead, David R.

“…The TOPS database holds topological descriptions of protein structures. These compact and highly abstract descriptions reduce the protein fold to a sequence of…”
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Erratum to: The Chemistry Development Kit (CDK) v2.0: atom typing, depiction, molecular formulas, and substructure searching by Willighagen, Egon L., Mayfield, John W., Alvarsson, Jonathan, Berg, Arvid, Carlsson, Lars, Jeliazkova, Nina, Kuhn, Stefan, Pluskal, Tomáš, Rojas-Chertó, Miquel, Spjuth, Ola, Torrance, Gilleain, Evelo, Chris T., Guha, Rajarshi, Steinbeck, Christoph

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Domain Discovery Method for Topological Profile Searches in Protein Structures by Viksna, Juris, Gilbert, David, Torrance, Gilleain

“…We describe a method for automated domain discovery for topological profile searches in protein structures. The method is used in a system TOPStructure for…”
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