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Items: 7

1.

Binding mode prediction and MD/MMPBSA-based free energy ranking for agonists of REV-ERBα/NCoR.

Westermaier Y, Ruiz-Carmona S, Theret I, Perron-Sierra F, Poissonnet G, Dacquet C, Boutin JA, Ducrot P, Barril X.

J Comput Aided Mol Des. 2017 Aug;31(8):755-775. doi: 10.1007/s10822-017-0040-7. Epub 2017 Jul 15.

PMID:
28712038
2.

Virtual screening: an in silico tool for interlacing the chemical universe with the proteome.

Westermaier Y, Barril X, Scapozza L.

Methods. 2015 Jan;71:44-57. doi: 10.1016/j.ymeth.2014.08.001. Epub 2014 Sep 2.

PMID:
25193260
3.

Identification of aggregation breakers for bevacizumab (Avastin®) self-association through similarity searching and interaction studies.

Westermaier Y, Veurink M, Riis-Johannessen T, Guinchard S, Gurny R, Scapozza L.

Eur J Pharm Biopharm. 2013 Nov;85(3 Pt A):773-80. doi: 10.1016/j.ejpb.2013.04.012. Epub 2013 May 9.

PMID:
23665445
4.

Breaking the aggregation of the monoclonal antibody bevacizumab (avastin®) by dexamethasone phosphate: insights from molecular modelling and asymmetrical flow field-flow fractionation.

Veurink M, Westermaier Y, Gurny R, Scapozza L.

Pharm Res. 2013 Apr;30(4):1176-87. doi: 10.1007/s11095-012-0955-6. Epub 2013 Feb 15.

PMID:
23412914
5.

A new N-methyl thymine derivative comprising a dihydroxyisobutenyl unit as ligand for thymidine kinase of herpes simplex virus type 1 (HSV-1 TK).

Krištafor S, Novaković I, Gazivoda Kraljević T, Kraljević Pavelić S, Lučin P, Westermaier Y, Pernot L, Scapozza L, Ametamey SM, Raić-Malić S.

Bioorg Med Chem Lett. 2011 Oct 15;21(20):6161-5. doi: 10.1016/j.bmcl.2011.07.115. Epub 2011 Aug 6.

PMID:
21911293
6.

Synthesis, crystal structure, and in vitro biological evaluation of C-6 pyrimidine derivatives: new lead structures for monitoring gene expression in vivo.

Martić M, Pernot L, Westermaier Y, Perozzo R, Kraljević TG, Krištafor S, Raić-Malić S, Scapozza L, Ametamey S.

Nucleosides Nucleotides Nucleic Acids. 2011 Apr;30(4):293-315. doi: 10.1080/15257770.2011.581258.

PMID:
21623543
7.

NADPH oxidase (NOX) isoforms are inhibited by celastrol with a dual mode of action.

Jaquet V, Marcoux J, Forest E, Leidal KG, McCormick S, Westermaier Y, Perozzo R, Plastre O, Fioraso-Cartier L, Diebold B, Scapozza L, Nauseef WM, Fieschi F, Krause KH, Bedard K.

Br J Pharmacol. 2011 Sep;164(2b):507-20. doi: 10.1111/j.1476-5381.2011.01439.x.

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