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Items: 1 to 20 of 33

1.

Mechanistic Perspectives in the Regioselective Indole Addition to Unsymmetrical Silyloxyallyl Cations.

Bresnahan CG, Taylor-Edinbyrd KA, Cleveland AH, Malone JA, Dange NS, Milet A, Kumar R, Kartika R.

J Org Chem. 2019 May 16. doi: 10.1021/acs.joc.9b00853. [Epub ahead of print]

PMID:
31050428
2.

Interfacial Water at Graphene Oxide Surface: Ordered or Disordered?

Subasinghege Don V, David R, Du P, Milet A, Kumar R.

J Phys Chem B. 2019 Feb 21;123(7):1636-1649. doi: 10.1021/acs.jpcb.8b10987. Epub 2019 Feb 13.

PMID:
30694673
3.

The Reaction of Aminonitriles with Aminothiols: A Way to Thiol-Containing Peptides and Nitrogen Heterocycles in the Primitive Earth Ocean.

Shalayel I, Coulibaly S, Ly KD, Milet A, Vallée Y.

Life (Basel). 2018 Oct 19;8(4). pii: E47. doi: 10.3390/life8040047.

4.

Bond dissociation energies of carbonyl gold complexes: a new descriptor of ligand effects in gold(i) complexes?

Gatineau D, Lesage D, Clavier H, Dossmann H, Chan CH, Milet A, Memboeuf A, Cole RB, Gimbert Y.

Dalton Trans. 2018 Nov 21;47(43):15497-15505. doi: 10.1039/c8dt03721c. Epub 2018 Oct 19.

PMID:
30338332
5.

At the very beginning of life on Earth: the thiol-rich peptide (TRP) world hypothesis.

Vallee Y, Shalayel I, Ly KD, Rao KVR, De Paëpe G, Märker K, Milet A.

Int J Dev Biol. 2017;61(8-9):471-478. doi: 10.1387/ijdb.170028yv.

6.

Iron Hydroperoxide Intermediate in Superoxide Reductase: Protonation or Dissociation First? MM Dynamics and QM/MM Metadynamics Study.

David R, Jamet H, Nivière V, Moreau Y, Milet A.

J Chem Theory Comput. 2017 Jun 13;13(6):2987-3004. doi: 10.1021/acs.jctc.7b00126. Epub 2017 May 30.

PMID:
28511011
7.

Hydrogen-Bond Controlled π-Dimerization in Viologen-Appended Calixarenes: Revealing a Subtle Balance of Weak Interactions.

Kahlfuss C, Milet A, Wytko J, Weiss J, Saint-Aman E, Bucher C.

Org Lett. 2015 Aug 21;17(16):4058-61. doi: 10.1021/acs.orglett.5b01982. Epub 2015 Aug 13.

PMID:
26270244
8.

Experimental and computational insights into carbon dioxide fixation by RZnOH species.

Sokołowski K, Bury W, Tulewicz A, Cieślak AM, Justyniak I, Kubicki D, Krajewska E, Milet A, Moszyński R, Lewiński J.

Chemistry. 2015 Mar 27;21(14):5496-503. doi: 10.1002/chem.201406271. Epub 2015 Feb 18.

PMID:
25693575
9.

Kinetic resolution in the [2+2] cycloaddition of ketenes: an experimental and theoretical study.

Rullière P, Carret S, Milet A, Poisson JF.

Chemistry. 2015 Mar 2;21(10):3876-81. doi: 10.1002/chem.201405393. Epub 2015 Jan 29.

PMID:
25640298
10.

Chemically and electrochemically triggered assembly of viologen radicals: towards multiaddressable molecular switches.

Kahlfuss C, Métay E, Duclos MC, Lemaire M, Milet A, Saint-Aman E, Bucher C.

Chemistry. 2015 Jan 26;21(5):2090-106. doi: 10.1002/chem.201405157. Epub 2014 Nov 28.

PMID:
25450858
11.

Investigation of binding-site homology between mushroom and bacterial tyrosinases by using aurones as effectors.

Haudecoeur R, Gouron A, Dubois C, Jamet H, Lightbody M, Hardré R, Milet A, Bergantino E, Bubacco L, Belle C, Réglier M, Boumendjel A.

Chembiochem. 2014 Jun 16;15(9):1325-33. doi: 10.1002/cbic.201402003. Epub 2014 May 21.

PMID:
24849818
12.

Conformational flexibility of human casein kinase catalytic subunit explored by metadynamics.

Gouron A, Milet A, Jamet H.

Biophys J. 2014 Mar 4;106(5):1134-41. doi: 10.1016/j.bpj.2014.01.031.

13.

α-Halogenoacetanilides as hydrogen-bonding organocatalysts that activate carbonyl bonds: fluorine versus chlorine and bromine.

Koeller S, Thomas C, Peruch F, Deffieux A, Massip S, Léger JM, Desvergne JP, Milet A, Bibal B.

Chemistry. 2014 Mar 3;20(10):2849-59. doi: 10.1002/chem.201303662. Epub 2014 Feb 12.

PMID:
24519659
14.

The Pauson-Khand mechanism revisited: origin of CO in the final product.

Lesage D, Milet A, Memboeuf A, Blu J, Greene AE, Tabet JC, Gimbert Y.

Angew Chem Int Ed Engl. 2014 Feb 10;53(7):1939-42. doi: 10.1002/anie.201307745. Epub 2014 Jan 21.

PMID:
24449220
15.

Probing kojic acid binding to tyrosinase enzyme: insights from a model complex and QM/MM calculations.

Bochot C, Gouron A, Bubacco L, Milet A, Philouze C, Réglier M, Serratrice G, Jamet H, Belle C.

Chem Commun (Camb). 2014 Jan 11;50(3):308-10. doi: 10.1039/c3cc47469k. Epub 2013 Nov 14.

PMID:
24225561
16.

Redox control of molecular motions in bipyridinium appended calixarenes.

Iordache A, Kannappan R, Métay E, Duclos MC, Pellet-Rostaing S, Lemaire M, Milet A, Saint-Aman E, Bucher C.

Org Biomol Chem. 2013 Jul 14;11(26):4383-9. doi: 10.1039/c3ob40356d. Epub 2013 May 22.

PMID:
23695840
17.

Long-range electronic connection in picket-fence like ferrocene-porphyrin derivatives.

Devillers CH, Milet A, Moutet JC, Pécaut J, Royal G, Saint-Aman E, Bucher C.

Dalton Trans. 2013 Jan 28;42(4):1196-209. doi: 10.1039/c2dt31667f.

PMID:
23124393
18.

Redox control of rotary motions in ferrocene-based elemental ball bearings.

Iordache A, Oltean M, Milet A, Thomas F, Baptiste B, Saint-Aman E, Bucher C.

J Am Chem Soc. 2012 Feb 8;134(5):2653-71. doi: 10.1021/ja209766e. Epub 2012 Jan 18.

PMID:
22148394
19.

Tracing the Entropy along a Reactive Pathway: The Energy As a Generalized Reaction Coordinate.

Michel C, Laio A, Milet A.

J Chem Theory Comput. 2009 Sep 8;5(9):2193-6. doi: 10.1021/ct900177h.

PMID:
26616603
20.

Exploring the binding of inhibitors derived from tetrabromobenzimidazole to the CK2 protein using a QM/MM-PB/SA approach.

Retegan M, Milet A, Jamet H.

J Chem Inf Model. 2009 Apr;49(4):963-71. doi: 10.1021/ci8004435.

PMID:
19354274

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