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pro vyhledávání: '"J. Harry Moore"'
Autor:
J. Harry Moore, Christian Margreitter, Jon Paul Janet, Ola Engkvist, Bert L. de Groot, Vytautas Gapsys
Publikováno v:
Communications Chemistry, Vol 6, Iss 1, Pp 1-12 (2023)
Abstract In drug discovery, computational methods are a key part of making informed design decisions and prioritising experiments. In particular, optimizing compound affinity is a central concern during the early stages of development. In the last 10
Externí odkaz:
https://doaj.org/article/e61fcb9fe4934f0ebbdda11498708408
Autor:
Matthew P. Webster, Daniele Antermite, J. Harry Moore, Amalia-Sofia Piticari, Joe I. Higham, James A. Bull
A selective Pd-catalyzed C(3)–H cis-functionalization of piperidine and tetrahydropyran carboxylic acids is achieved using a C(4) aminoquinoline amide auxiliary. High mono- and cis-selectivity is attained by using mesityl carboxylic acid as an addi
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4b982efbf4d539d81a6371ea61ca3a18
http://hdl.handle.net/10044/1/95852
http://hdl.handle.net/10044/1/95852
Autor:
J. Harry Moore, Matthias R. Bauer, Jeff Guo, Atanas Patronov, Ola Engkvist, Christian Margreitter
Publikováno v:
Bioinformatics. 38:4951-4952
Summary We present Icolos, a workflow manager written in Python as a tool for automating complex structure-based workflows for drug design. Icolos can be used as a standalone tool, for example in virtual screening campaigns, or can be used in conjunc
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::6ac5b8a53ff8642cbbb95bf27b505072
https://doi.org/10.1093/bioinformatics/btac614
https://doi.org/10.1093/bioinformatics/btac614
Autor:
J. Harry Moore
Slide deck summarising research carried out during Master's research project
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::1ad2e3ddcce00febdb7c7cedb598cc8c