Zobrazeno 1 - 6
of 6
pro vyhledávání: '"Timothy R. Auton"'
Publikováno v:
Journal of Computer-Aided Molecular Design. 12:503-519
This paper tests the performance of a simple empirical scoring function on a set of candidate designs produced by a de novo design package. The scoring function calculates approximate ligand-receptor binding affinities given a putative binding geomet
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::0a0e1b9c9ff82f300df8f2e799266827
https://doi.org/10.1023/a:1008040323669
https://doi.org/10.1023/a:1008040323669
Publikováno v:
Journal of Computer-Aided Molecular Design. 11:425-445
This paper describes the development of a simple empirical scoring function designed to estimate the free energy of binding for a protein-ligand complex when the 3D structure of the complex is known or can be approximated. The function uses simple co
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::9581ccce5dc943f0bf0478f1edbabe6b
https://doi.org/10.1023/a:1007996124545
https://doi.org/10.1023/a:1007996124545
Autor:
Michael A. Firth, David R. Westhead, Timothy R. Auton, Bohdan Waszkowycz, Jin Li, Richard A. Sykes, Stephen Clinton Young, David E. Clark, Christopher W. Murray
Publikováno v:
Journal of Computer-Aided Molecular Design. 11:193-207
This paper describes a novel methodology, PRO_SELECT, which combines elements of structure-based drug design and combinatorial chemistry to create a new paradigm for accelerated lead discovery. Starting with a synthetically accessible template positi
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::a5b3d2e7b5d087c467858b0a99153396
https://doi.org/10.1023/a:1008094712424
https://doi.org/10.1023/a:1008094712424
Publikováno v:
Scopus-Elsevier
A sound understanding of the mechanisms determining percutaneous absorption is necessary for toxicological risk assessment of chemicals contacting the skin. As part of a programme investigating these mechanisms we have developed a physiologically bas
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a1f9c1064b5d3b07427cc7f9f0e51170
https://doi.org/10.1177/096032719401300108
https://doi.org/10.1177/096032719401300108
Autor:
Timothy R. Auton, Robert C. Scott, Bruce H. Woollen, Martin F. Wilks, Kathryn L. Trebilcock, Jennifer Hilton
Publikováno v:
Pharmaceutical Research. 11:1396-1400
We studied the effects of three vehicles (propylene glycol, octanol and ethyl decanoate) with differing polarity on the in vitro percutaneous absorption of three chemicals (fluazifop-butyl, dimethyl phthalate and fomesafen sodium salt) with a range o
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::b4623f2c936e88678849931dba6c7a49
https://doi.org/10.1023/a:1018931503784
https://doi.org/10.1023/a:1018931503784
Publikováno v:
Pesticide Science. 51:91-92
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::5ef6c288ce7a46cbd650201e7b51eba7
https://doi.org/10.1002/(sici)1096-9063(199709)51:1<91::aid-ps607>3.0.co
https://doi.org/10.1002/(sici)1096-9063(199709)51:1<91::aid-ps607>3.0.co