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Items: 12

1.

Effect of set up protocols on the accuracy of alchemical free energy calculation over a set of ACK1 inhibitors.

Granadino-Roldán JM, Mey ASJS, Pérez González JJ, Bosisio S, Rubio-Martinez J, Michel J.

PLoS One. 2019 Mar 12;14(3):e0213217. doi: 10.1371/journal.pone.0213217. eCollection 2019.

2.

Improved Oral Absorption of Quercetin from Quercetin Phytosome®, a New Delivery System Based on Food Grade Lecithin.

Riva A, Ronchi M, Petrangolini G, Bosisio S, Allegrini P.

Eur J Drug Metab Pharmacokinet. 2019 Apr;44(2):169-177. doi: 10.1007/s13318-018-0517-3.

3.

Reproducibility of Free Energy Calculations across Different Molecular Simulation Software Packages.

Loeffler HH, Bosisio S, Duarte Ramos Matos G, Suh D, Roux B, Mobley DL, Michel J.

J Chem Theory Comput. 2018 Nov 13;14(11):5567-5582. doi: 10.1021/acs.jctc.8b00544. Epub 2018 Oct 22.

PMID:
30289712
4.

Blinded predictions of standard binding free energies: lessons learned from the SAMPL6 challenge.

Papadourakis M, Bosisio S, Michel J.

J Comput Aided Mol Des. 2018 Oct;32(10):1047-1058. doi: 10.1007/s10822-018-0154-6. Epub 2018 Aug 29.

PMID:
30159717
5.

Metabolism and hydrophilicity of the polarised 'Janus face' all-cis tetrafluorocyclohexyl ring, a candidate motif for drug discovery.

Rodil A, Bosisio S, Ayoup MS, Quinn L, Cordes DB, Slawin AMZ, Murphy CD, Michel J, O'Hagan D.

Chem Sci. 2018 Feb 19;9(11):3023-3028. doi: 10.1039/c8sc00299a. eCollection 2018 Mar 21.

6.

Blinded predictions of distribution coefficients in the SAMPL5 challenge.

Bosisio S, Mey AS, Michel J.

J Comput Aided Mol Des. 2016 Nov;30(11):1101-1114. doi: 10.1007/s10822-016-9969-1. Epub 2016 Sep 27.

7.

Blinded predictions of host-guest standard free energies of binding in the SAMPL5 challenge.

Bosisio S, Mey ASJS, Michel J.

J Comput Aided Mol Des. 2017 Jan;31(1):61-70. doi: 10.1007/s10822-016-9933-0. Epub 2016 Aug 8.

PMID:
27503495
8.

The metallobiochemistry of ultratrace levels of platinum group elements in the rat.

Sabbioni E, Fortaner S, Manenti S, Groppi F, Bonardi M, Bosisio S, Di Gioacchino M.

Metallomics. 2015 Feb;7(2):267-76. doi: 10.1039/c4mt00240g.

PMID:
25561341
9.

External and internal gelation of pectin solutions: microscopic dynamics versus macroscopic rheology.

Secchi E, Munarin F, Alaimo MD, Bosisio S, Buzzaccaro S, Ciccarella G, Vergaro V, Petrini P, Piazza R.

J Phys Condens Matter. 2014 Nov 19;26(46):464106. doi: 10.1088/0953-8984/26/46/464106. Epub 2014 Oct 27.

PMID:
25347466
10.

Metabolic fate of ultratrace levels of GeCl(4) in the rat and in vitro studies on its basal cytotoxicity and carcinogenic potential in Balb/3T3 and HaCaT cell linesdagger.

Sabbioni E, Fortaner S, Bosisio S, Farina M, Del Torchio R, Edel J, Fischbach M.

J Appl Toxicol. 2010 Jan;30(1):34-41. doi: 10.1002/jat.1469.

PMID:
19757410
11.

Developmental toxicity, uptake and distribution of sodium chromate assayed by frog embryo teratogenesis assay-Xenopus(FETAX).

Bosisio S, Fortaner S, Bellinetto S, Farina M, Del Torchio R, Prati M, Gornati R, Bernardini G, Sabbioni E.

Sci Total Environ. 2009 Sep 1;407(18):5039-45. doi: 10.1016/j.scitotenv.2009.05.047. Epub 2009 Jun 21.

PMID:
19540565
12.

Arsenic toxicity and HSP70 expression in Xenopus laevis embryos.

Gornati R, Monetti C, Vigetti D, Bosisio S, Fortaner S, Sabbioni E, Bernardini G, Prati M.

Altern Lab Anim. 2002 Nov-Dec;30(6):597-603.

PMID:
12513685

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