Zobrazeno 1 - 6
of 6
pro vyhledávání: '"Yogendra Patel"'
Autor:
Yogendra Patel, Eleanor J. Gardiner, Valerie J. Gillet, John D. Holliday, Maciej Haranczyk, Jérôme Hert, Peter Willett, Nurul Hashimah Ahamed Hassain Malim
Publikováno v:
Statistical Analysis and Data Mining: The ASA Data Science Journal. 2:103-114
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::73d3570a0ae1b67da9f3c88314e540de
https://doi.org/10.1002/sam.10037
https://doi.org/10.1002/sam.10037
Publikováno v:
Journal of Computer-Aided Molecular Design. 16:653-681
Three commercially available pharmacophore generation programs, Catalyst/HipHop, DISCO and GASP, were compared on their ability to generate known pharmacophores deduced from protein-ligand complexes extracted from the Protein Data Bank. Five differen
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::ac31b19d9104f6cedb640a2e97fd977a
https://doi.org/10.1023/a:1021954728347
https://doi.org/10.1023/a:1021954728347
Publikováno v:
BMC Systems Biology, Vol 5, Iss 1, p 32 (2011)
BMC Systems Biology
BMC Systems Biology
Background The similarity property principle has been used extensively in drug discovery to identify small compounds that interact with specific drug targets. Here we show it can be applied to identify the interactions of small molecules within the N
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::8094b75ee2b590760e63ff4220edae5f
https://doi.org/10.1186/1752-0509-5-32
https://doi.org/10.1186/1752-0509-5-32
Autor:
Joaquin Pastor, Yogendra Patel, Peter Willett, Julen Oyarzabal, Valerie J. Gillet, Trevor Howe
Publikováno v:
Journal of medicinal chemistry. 51(23)
Free-Wilson (FW) analysis is common practice in medicinal chemistry and is based on the assumption that the contributions to activity made by substituents at different substitution positions are additive. We analyze eight near complete combinatorial
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::8b453dd30a2a16fb2b4a54ce9588061f
https://pubmed.ncbi.nlm.nih.gov/19012393
https://pubmed.ncbi.nlm.nih.gov/19012393
Publikováno v:
Journal of computer-aided molecular design. 16(8-9)
Three commercially available pharmacophore generation programs, Catalyst/HipHop, DISCO and GASP, were compared on their ability to generate known pharmacophores deduced from protein-ligand complexes extracted from the Protein Data Bank. Five differen
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::64fcf5723968c636074f5f814089d0de
https://pubmed.ncbi.nlm.nih.gov/12602956
https://pubmed.ncbi.nlm.nih.gov/12602956
Autor:
Yogendra Patel, Neil Swainston, Sue Francis-McIntyre, Kathleen M. Carroll, Catherine L. Winder, David Broadhurst, Royston Goodacre, Marie Brown, Warwick B. Dunn, Paul Begley, Irena Spasic, Andy Tseng, Paul D. Dobson, Douglas B. Kell
Publikováno v:
Brown, M, Dunn, W B, Dobson, P, Patel, Y, Winder, C L, Francis-McIntyre, S, Begley, P, Carroll, K, Broadhurst, D, Tseng, A, Swainston, N, Spasic, I, Goodacre, R & Kell, D B 2009, ' Mass spectrometry tools and metabolite-specific databases for molecular identification in metabolomics ', Analyst, vol. 134, no. 7, pp. 1322-32 . https://doi.org/10.1039/b901179j, https://doi.org/10.1039/b901179j
The chemical identification of mass spectrometric signals in metabolomic applications is important to provide conversion of analytical data to biological knowledge about metabolic pathways. The complexity of electrospray mass spectrometric data acqui
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d4724a4af89996c0c91c82da8ad64c0f
https://doi.org/10.1039/b901179j
https://doi.org/10.1039/b901179j