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Skin sensitization in silico protocol.
Johnson C, Ahlberg E, Anger LT, Beilke L, Benigni R, Bercu J, Bobst S, Bower D, Brigo A, Campbell S, Cronin MTD, Crooks I, Cross KP, Doktorova T, Exner T, Faulkner D, Fearon IM, Fehr M, Gad SC, Gervais V, Giddings A, Glowienke S, Hardy B, Hasselgren C, Hillegass J, Jolly R, Krupp E, Lomnitski L, Magby J, Mestres J, Milchak L, Miller S, Muster W, Neilson L, Parakhia R, Parenty A, Parris P, Paulino A, Paulino AT, Roberts DW, Schlecker H, Stidl R, Suarez-Rodrigez D, Szabo DT, Tice RR, Urbisch D, Vuorinen A, Wall B, Weiler T, White AT, Whritenour J, Wichard J, Woolley D, Zwickl C, Myatt GJ. Johnson C, et al. Among authors: mestres j. Regul Toxicol Pharmacol. 2020 Oct;116:104688. doi: 10.1016/j.yrtph.2020.104688. Epub 2020 Jul 1. Regul Toxicol Pharmacol. 2020. PMID: 32621976 Free PMC article.
MeDALL (Mechanisms of the Development of ALLergy): an integrated approach from phenotypes to systems medicine.
Bousquet J, Anto J, Auffray C, Akdis M, Cambon-Thomsen A, Keil T, Haahtela T, Lambrecht BN, Postma DS, Sunyer J, Valenta R, Akdis CA, Annesi-Maesano I, Arno A, Bachert C, Ballester F, Basagana X, Baumgartner U, Bindslev-Jensen C, Brunekreef B, Carlsen KH, Chatzi L, Crameri R, Eveno E, Forastiere F, Garcia-Aymerich J, Guerra S, Hammad H, Heinrich J, Hirsch D, Jacquemin B, Kauffmann F, Kerkhof M, Kogevinas M, Koppelman GH, Kowalski ML, Lau S, Lodrup-Carlsen KC, Lopez-Botet M, Lotvall J, Lupinek C, Maier D, Makela MJ, Martinez FD, Mestres J, Momas I, Nawijn MC, Neubauer A, Oddie S, Palkonen S, Pin I, Pison C, Rancé F, Reitamo S, Rial-Sebbag E, Salapatas M, Siroux V, Smagghe D, Torrent M, Toskala E, van Cauwenberge P, van Oosterhout AJ, Varraso R, von Hertzen L, Wickman M, Wijmenga C, Worm M, Wright J, Zuberbier T. Bousquet J, et al. Among authors: mestres j. Allergy. 2011 May;66(5):596-604. doi: 10.1111/j.1398-9995.2010.02534.x. Epub 2011 Jan 24. Allergy. 2011. PMID: 21261657 Review.
Unsupervised guided docking of covalently bound ligands.
Fradera X, Kaur J, Mestres J. Fradera X, et al. Among authors: mestres j. J Comput Aided Mol Des. 2004 Oct;18(10):635-50. doi: 10.1007/s10822-004-5291-4. J Comput Aided Mol Des. 2004. PMID: 15849994
Mutual induced fit in cyclodextrin-rocuronium complexes.
Cooper A, Nutley M, MacLean EJ, Cameron K, Fielding L, Mestres J, Palin R. Cooper A, et al. Among authors: mestres j. Org Biomol Chem. 2005 May 21;3(10):1863-71. doi: 10.1039/b415903a. Epub 2005 Mar 23. Org Biomol Chem. 2005. PMID: 15889169
141 results