Zobrazeno 1 - 10
of 10
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
Autor:
Moore, J. Harry1 (AUTHOR), Margreitter, Christian1 (AUTHOR), Janet, Jon Paul1 (AUTHOR), Engkvist, Ola1 (AUTHOR) ola.engkvist@astrazeneca.com, de Groot, Bert L.2 (AUTHOR) bgroot@gwdg.de, Gapsys, Vytautas2 (AUTHOR) vgapsys@gwdg.de
Publikováno v:
Communications Chemistry. 4/27/2023, Vol. 6 Issue 1, p1-12. 12p.
Autor:
Piticari, Amalia‐Sofia1 (AUTHOR), Antermite, Daniele1 (AUTHOR), Higham, Joe I.1 (AUTHOR), Moore, J. Harry1 (AUTHOR), Webster, Matthew P.2 (AUTHOR), Bull, James A.1 (AUTHOR) j.bull@imperial.ac.uk
Publikováno v:
Advanced Synthesis & Catalysis. 4/12/2022, Vol. 364 Issue 8, p1488-1497. 10p.
Icolos: a workflow manager for structure-based post-processing of de novo generated small molecules.
Autor:
Moore, J Harry, Bauer, Matthias R, Guo, Jeff, Patronov, Atanas, Engkvist, Ola, Margreitter, Christian
Publikováno v:
Bioinformatics; Nov2022, Vol. 38 Issue 21, p4951-4952, 2p
How is race defined and perceived in America today, and how do these definitions and perceptions compare to attitudes 100 years ago… or 200 years ago? This four-volume set is the definitive source for every topic related to race in the United State
Autor:
Deborah Kalb
•As mentioned in The Washington Post! The CQ Press Guide to U.S. Elections, Seventh Edition is a comprehensive, two-volume reference providing information on the U.S. electoral process, in-depth analysis on specific political eras and issues, an
Autor:
Walter C. Rucker, James N. Upton
Race riots are the most glaring and contemporary displays of the racial strife running through America's history. Mostly urban, mostly outside the South, and mostly white-instigated, the number and violence of race riots increased as blacks migrated