Zobrazeno 1 - 6
of 6
pro vyhledávání: '"Gunther Stahl"'
Autor:
Paul C D, Hawkins, Gunther, Stahl
Publikováno v:
Methods in molecular biology (Clifton, N.J.). 1705
This chapter describes two powerful 3D ligand-based shape similarity and scoring methods called ROCS and EON, their basic operation and selected validation data. The steps required to prepare a database of molecules for successful use with ROCS and E
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::23e835d5bebd06af03dc4fb646f0d069
https://pubmed.ncbi.nlm.nih.gov/29188573
https://pubmed.ncbi.nlm.nih.gov/29188573
Autor:
Gunther Stahl, Paul C. D. Hawkins
Publikováno v:
Methods in Molecular Biology ISBN: 9781493974641
This chapter describes two powerful 3D ligand-based shape similarity and scoring methods called ROCS and EON, their basic operation and selected validation data. The steps required to prepare a database of molecules for successful use with ROCS and E
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::2250782023e84d592f673b2c0efb9ae5
https://doi.org/10.1007/978-1-4939-7465-8_18
https://doi.org/10.1007/978-1-4939-7465-8_18
Autor:
Gunther Stahl, Phillip Cruz, Richard D. Cramer, Farhad Soltanshahi, Brian Campbell, William C. Curtiss, Brian B. Masek
Publikováno v:
ChemInform. 40
Multiple R-groups (monovalent fragments) are implicitly accessible within most of the molecular structures that populate large structural databases. R-group searching would desirably consider pIC50 contribution forecasts as well as ligand similaritie
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::5c78ea863f218ef284fcec653d235589
https://doi.org/10.1002/chin.200915217
https://doi.org/10.1002/chin.200915217
Autor:
William C. Curtiss, Richard D. Cramer, Brian B. Masek, Gunther Stahl, Phillip Cruz, Brian Campbell, Farhad Soltanshahi
Publikováno v:
Journal of chemical information and modeling. 48(11)
Multiple R-groups (monovalent fragments) are implicitly accessible within most of the molecular structures that populate large structural databases. R-group searching would desirably consider pIC50 contribution forecasts as well as ligand similaritie
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::369c7286f86ac179442b7d3745162d6a
https://pubmed.ncbi.nlm.nih.gov/18956863
https://pubmed.ncbi.nlm.nih.gov/18956863
Autor:
Richard D. Cramer, Phillip Cruz, Gunther Stahl, William C. Curtiss, Brian Campbell, Brian B. Masek, Farhad Soltanshahi
Publikováno v:
Journal of Chemical Information & Modeling; Nov2008, Vol. 48 Issue 11, p2180-2195, 16p
Publikováno v:
Journal of Cheminformatics
Cognate docking has been used as a test for pose prediction quality in docking engines for decades. While cognate docking is not the problem that docking engines are put to in their normal use (that being cross docking), it is expected that good perf
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::f41ead41931ca0aaed860616016a1e6f