Re N - Search Results

1

Stereoselectivity by enantiomeric inhibitors of matrix metalloproteinase-8: new insights from molecular dynamics simulations.

Aschi M, Besker N, Re N, Pochetti G, Coletti C, Gallina C, Mazza F. Aschi M, et al. Among authors: re n. J Med Chem. 2007 Jan 25;50(2):211-8. doi: 10.1021/jm0608457. J Med Chem. 2007. PMID: 17228863

2

Theoretical study of alkali cation-benzene complexes: potential energy surfaces and binding energies with improved results for rubidium and cesium.

Coletti C, Re N. Coletti C, et al. Among authors: re n. J Phys Chem A. 2006 May 25;110(20):6563-70. doi: 10.1021/jp060771a. J Phys Chem A. 2006. PMID: 16706415

3

Atom-bond pairwise additive representation for cation-benzene potential energy surfaces: An ab initio validation study.

Albertí M, Aguilar A, Lucas JM, Pirani F, Cappelletti D, Coletti C, Re N. Albertí M, et al. Among authors: re n. J Phys Chem A. 2006 Jul 20;110(28):9002-10. doi: 10.1021/jp062007u. J Phys Chem A. 2006. PMID: 16836464

4

Poly(ADP-ribose)-polymerase-catalyzed hydrolysis of NAD+: QM/MM simulation of the enzyme reaction.

Bellocchi D, Costantino G, Pellicciari R, Re N, Marrone A, Coletti C. Bellocchi D, et al. Among authors: re n. ChemMedChem. 2006 May;1(5):533-9. doi: 10.1002/cmdc.200500061. ChemMedChem. 2006. PMID: 16892389

5

Nonradical mechanisms for the uncatalyzed thermal functionalization of silicon surfaces by alkenes and alkynes: a density functional study.

Coletti C, Marrone A, Giorgi G, Sgamellotti A, Cerofolini G, Re N. Coletti C, et al. Among authors: re n. Langmuir. 2006 Nov 21;22(24):9949-56. doi: 10.1021/la060013b. Langmuir. 2006. PMID: 17106984

6

Binding of antitumor ruthenium complexes to DNA and proteins: a theoretical approach.

Besker N, Coletti C, Marrone A, Re N. Besker N, et al. Among authors: re n. J Phys Chem B. 2007 Aug 23;111(33):9955-64. doi: 10.1021/jp072182q. Epub 2007 Aug 2. J Phys Chem B. 2007. PMID: 17672493

7

Aquation of the ruthenium-based anticancer drug NAMI-A: a density functional study.

Besker N, Coletti C, Marrone A, Re N. Besker N, et al. Among authors: re n. J Phys Chem B. 2008 Apr 3;112(13):3871-5. doi: 10.1021/jp800411g. Epub 2008 Mar 11. J Phys Chem B. 2008. PMID: 18331025

8

High level theoretical study of benzene-halide adducts: the importance of C-H-anion hydrogen bonding.

Coletti C, Re N. Coletti C, et al. Among authors: re n. J Phys Chem A. 2009 Feb 26;113(8):1578-85. doi: 10.1021/jp809434b. Epub 2009 Feb 5. J Phys Chem A. 2009. PMID: 19195994

9

Synthesis, biological evaluation, and docking studies of N-substituted acetamidines as selective inhibitors of inducible nitric oxide synthase.

Maccallini C, Patruno A, Besker N, Alì JI, Ammazzalorso A, De Filippis B, Franceschelli S, Giampietro L, Pesce M, Reale M, Tricca ML, Re N, Felaco M, Amoroso R. Maccallini C, et al. Among authors: re n. J Med Chem. 2009 Mar 12;52(5):1481-5. doi: 10.1021/jm800846u. J Med Chem. 2009. PMID: 19203270

10

Atom-bond pairwise additive representation for halide-benzene potential energy surfaces: an ab initio validation study.

Albertí M, Aguilar A, Lucas JM, Pirani F, Coletti C, Re N. Albertí M, et al. Among authors: re n. J Phys Chem A. 2009 Dec 31;113(52):14606-14. doi: 10.1021/jp904329r. J Phys Chem A. 2009. PMID: 19588987

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