Zobrazeno 1 - 10
of 10
pro vyhledávání: '"Gilleain, Torrance"'
Autor:
Egon L. Willighagen, John W. Mayfield, Jonathan Alvarsson, Arvid Berg, Lars Carlsson, Nina Jeliazkova, Stefan Kuhn, Tomáš Pluskal, Miquel Rojas-Chertó, Ola Spjuth, Gilleain Torrance, Chris T. Evelo, Rajarshi Guha, Christoph Steinbeck
Publikováno v:
Journal of Cheminformatics, Vol 9, Iss 1, Pp 1-19 (2017)
Abstract Background The Chemistry Development Kit (CDK) is a widely used open source cheminformatics toolkit, providing data structures to represent chemical concepts along with methods to manipulate such structures and perform computations on them.
Externí odkaz:
https://doaj.org/article/04d9c1e269724925b7979d21a9dd3f92
Autor:
Egon L. Willighagen, John W. Mayfield, Jonathan Alvarsson, Arvid Berg, Lars Carlsson, Nina Jeliazkova, Stefan Kuhn, Tomáš Pluskal, Miquel Rojas-Chertó, Ola Spjuth, Gilleain Torrance, Chris T. Evelo, Rajarshi Guha, Christoph Steinbeck
Publikováno v:
Journal of Cheminformatics, Vol 9, Iss 1, Pp 1-1 (2017)
Externí odkaz:
https://doaj.org/article/d29f0d164e91454a8645a5397063550f
Autor:
Tomáš Pluskal, Egon Willighagen, Miquel Rojas-Chertó, Lars Carlsson, John Mayfield, Rajarshi Guha, Ola Spjuth, Stefan Kuhn, Arvid Berg, Christoph Steinbeck, Nina Jeliazkova, Chris T. Evelo, gilleain torrance, Jonathan Alvarsson
Publikováno v:
Journal of Cheminformatics
Journal of Cheminformatics, 9:33. BioMed Central Ltd
Journal of Cheminformatics, Vol 9, Iss 1, Pp 1-19 (2017)
Journal of Cheminformatics, 9:33. BioMed Central Ltd
Journal of Cheminformatics, Vol 9, Iss 1, Pp 1-19 (2017)
Background The Chemistry Development Kit (CDK) is a widely used open source cheminformatics toolkit, providing data structures to represent chemical concepts along with methods to manipulate such structures and perform computations on them. The libra
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::6f4f5b0cfd17668993e9cc8fb78942bb
https://doi.org/10.1186/s13321-017-0220-4
https://doi.org/10.1186/s13321-017-0220-4
Autor:
Martin Eklund, Egon Willighagen, Johannes Wagener, Jarl E. S. Wikberg, Jonathan Alvarsson, gilleain torrance, Christoph Steinbeck, Stefan Kuhn, Arvid Berg, Ola Spjuth, Carl Mäsak
Publikováno v:
BMC Bioinformatics, Vol 10, Iss 1, p 397 (2009)
BMC Bioinformatics, 10:397. BioMed Central Ltd
BMC Bioinformatics
BMC Bioinformatics, 10:397. BioMed Central Ltd
BMC Bioinformatics
Background Contemporary biological research integrates neighboring scientific domains to answer complex questions in fields such as systems biology and drug discovery. This calls for tools that are intuitive to use, yet flexible to adapt to new tasks
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b87729253df7648f87e18aa07b5b2ea0
http://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-109304
http://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-109304
Publikováno v:
Journal of molecular biology. 385(4)
We have surveyed the bridging of pairs of main chain carbonyl oxygens by cations or by delta(+) hydrogens within hydrogen bonding groups. A three to four residue motif, which we call the niche, with characteristic phi,psi angles, is by far the common
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b10712bfff46f38de01fb5577a725912
https://pubmed.ncbi.nlm.nih.gov/19038265
https://pubmed.ncbi.nlm.nih.gov/19038265
Publikováno v:
Bioinformatics (Oxford, England). 21(10)
Summary: We describe a fold level fast protein comparison and motif matching facility based on the TOPS representation of structure. This provides an update to a previous service at the EBI, with a better graph matching with faster results and visual
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::2d2bd43725c2941a3bd87a09d8321738
https://pubmed.ncbi.nlm.nih.gov/15741246
https://pubmed.ncbi.nlm.nih.gov/15741246
Publikováno v:
Genome informatics. International Conference on Genome Informatics. 15(2)
We describe a method for automated domain discovery for topological profile searches in protein structures. The method is used in a system TOPStructure for fast prediction of CATH classification for protein structures (given as PDB files). It is impo
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::5b7666b459eee91cd0b14020d2901df7
https://pubmed.ncbi.nlm.nih.gov/15706493
https://pubmed.ncbi.nlm.nih.gov/15706493
The TOPS database holds topological descriptions of protein structures. These compact and highly abstract descriptions reduce the protein fold to a sequence of Secondary Structure Elements (SSEs) and three sets of pairwise relationships between them,
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a5049491f74d87f534f601e5bacb5308
https://europepmc.org/articles/PMC308794/
https://europepmc.org/articles/PMC308794/
Methods, Processes, and Tools for Collaboration'The time has come to fundamentally rethink how we handle the building of knowledge in biomedical sciences today. This book describes how the computational sciences have transformed into being a key know
Autor:
Inge Jonassen, Junhyong Kim
This book constitutes the refereed proceedings of the 4th International Workshop on Algorithms in Bioinformatics, WABI 2004, held in Bergen, Norway, in September 2004. The 39 revised full papers presented were carefully reviewed and selected from 117