Neri M - Search Results

1

Characterization of molecular determinants of the conformational stability of macrophage migration inhibitory factor: leucine 46 hydrophobic pocket.

El-Turk F, Fauvet B, Ashrafi A, Ouertatani-Sakouhi H, Cho MK, Neri M, Cascella M, Rothlisberger U, Pojer F, Zweckstetter M, Lashuel H. El-Turk F, et al. Among authors: neri m. PLoS One. 2012;7(9):e45024. doi: 10.1371/journal.pone.0045024. Epub 2012 Sep 21. PLoS One. 2012. PMID: 23028743 Free PMC article.

2

Observation of "ionic lock" formation in molecular dynamics simulations of wild-type beta 1 and beta 2 adrenergic receptors.

Vanni S, Neri M, Tavernelli I, Rothlisberger U. Vanni S, et al. Among authors: neri m. Biochemistry. 2009 Jun 9;48(22):4789-97. doi: 10.1021/bi900299f. Biochemistry. 2009. PMID: 19378975

3

Predicting novel binding modes of agonists to β adrenergic receptors using all-atom molecular dynamics simulations.

Vanni S, Neri M, Tavernelli I, Rothlisberger U. Vanni S, et al. Among authors: neri m. PLoS Comput Biol. 2011 Jan 6;7(1):e1001053. doi: 10.1371/journal.pcbi.1001053. PLoS Comput Biol. 2011. PMID: 21253557 Free PMC article.

4

A conserved protonation-induced switch can trigger "ionic-lock" formation in adrenergic receptors.

Vanni S, Neri M, Tavernelli I, Rothlisberger U. Vanni S, et al. Among authors: neri m. J Mol Biol. 2010 Apr 16;397(5):1339-49. doi: 10.1016/j.jmb.2010.01.060. Epub 2010 Feb 2. J Mol Biol. 2010. PMID: 20132827

5

Role of aggregation in rhodopsin signal transduction.

Neri M, Vanni S, Tavernelli I, Rothlisberger U. Neri M, et al. Biochemistry. 2010 Jun 15;49(23):4827-32. doi: 10.1021/bi100478j. Biochemistry. 2010. PMID: 20459069

6

Integrating computational methods to retrofit enzymes to synthetic pathways.

Brunk E, Neri M, Tavernelli I, Hatzimanikatis V, Rothlisberger U. Brunk E, et al. Among authors: neri m. Biotechnol Bioeng. 2012 Feb;109(2):572-82. doi: 10.1002/bit.23334. Epub 2011 Sep 28. Biotechnol Bioeng. 2012. PMID: 21928337

7

Wagging the Tail: Essential Role of Substrate Flexibility in FAAH Catalysis.

Palermo G, Campomanes P, Neri M, Piomelli D, Cavalli A, Rothlisberger U, De Vivo M. Palermo G, et al. Among authors: neri m. J Chem Theory Comput. 2013 Feb 12;9(2):1202-13. doi: 10.1021/ct300611q. Epub 2013 Jan 15. J Chem Theory Comput. 2013. PMID: 26588763 Free article.

8

Topologically Based Multipolar Reconstruction of Electrostatic Interactions in Multiscale Simulations of Proteins.

Cascella M, Neri MA, Carloni P, Peraro MD. Cascella M, et al. Among authors: neri ma. J Chem Theory Comput. 2008 Aug;4(8):1378-85. doi: 10.1021/ct800122x. J Chem Theory Comput. 2008. PMID: 26631713

9

Origin of the spectral shifts among the early intermediates of the rhodopsin photocycle.

Campomanes P, Neri M, Horta BA, Röhrig UF, Vanni S, Tavernelli I, Rothlisberger U. Campomanes P, et al. Among authors: neri m. J Am Chem Soc. 2014 Mar 12;136(10):3842-51. doi: 10.1021/ja411303v. Epub 2014 Feb 25. J Am Chem Soc. 2014. PMID: 24512648

10

Mixed quantum mechanical/molecular mechanical (QM/MM) simulations of adiabatic and nonadiabatic ultrafast phenomena.

Curchod BF, Campomanes P, Laktionov A, Neri M, Penfold TJ, Vanni S, Tavernelli I, Rothlisberger U. Curchod BF, et al. Among authors: neri m. Chimia (Aarau). 2011;65(5):330-3. doi: 10.2533/chimia.2011.330. Chimia (Aarau). 2011. PMID: 21744687 Free article.

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