Zobrazeno 1 - 4
of 4
pro vyhledávání: '"Khanh G. Tang"'
Autor:
Benjamin I. Tingle, Khanh G. Tang, Mar Castanon, John J. Gutierrez, Munkhzul Khurelbaatar, Chinzorig Dandarchuluun, Yurii S. Moroz, John J. Irwin
Publikováno v:
Journal of chemical information and modeling, vol 63, iss 4
Purchasable chemical space has grown rapidly into the tens of billions of molecules, providing unprecedented opportunities for ligand discovery but straining the tools that might exploit these molecules at scale. We have therefore developed ZINC-22,
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3f32583cef016d6b94cf5163ef8ba5a2
https://doi.org/10.1021/acs.jcim.2c01253
https://doi.org/10.1021/acs.jcim.2c01253
Autor:
Khanh G. Tang, Trent E. Balius, Ying Yang, Jennifer J. Young, Jiankun Lyu, John J. Irwin, Reed M. Stein, Matthew J. O’Meara, Brian K. Shoichet
Publikováno v:
Journal of chemical information and modeling, vol 61, iss 2
J Chem Inf Model
J Chem Inf Model
Enrichment of ligands versus property-matched decoys is widely used to test and optimize docking library screens. However, the unconstrained optimization of enrichment alone can mislead, leading to false confidence in prospective performance. This ca
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::9e386e3f1391c01fbf66ace50f36a2b7
https://escholarship.org/uc/item/7r785814
https://escholarship.org/uc/item/7r785814
Autor:
Munkhzul Khurelbaatar, Jennifer J. Young, Khanh G. Tang, Roger A. Sayle, John Mayfield, Chinzorig Dandarchuluun, Benjamin R. Wong, Yurii S. Moroz, John J. Irwin
Publikováno v:
Journal of chemical information and modeling, vol 60, iss 12
J Chem Inf Model
J Chem Inf Model
Identifying and purchasing new small molecules to test in biological assays are enabling for ligand discovery, but as purchasable chemical space continues to grow into the tens of billions based on inexpensive make-on-demand compounds, simply searchi
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::c3d8ea3551fcabf2b7ce630748ce8861
https://escholarship.org/uc/item/0x7507b3
https://escholarship.org/uc/item/0x7507b3
cis-β-Bromostyrene derivatives were synthesized stereospecifically from cinnamic acids through β-lactone intermediates. The synthetic sequence did not require the purification of the β-lactone intermediates although they were found to be stable an
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ee8b61f72365fadaf3dcffed213eafc6
https://europepmc.org/articles/PMC5619872/
https://europepmc.org/articles/PMC5619872/