Monti S - Search Results

1

Computational study of conformational and chiroptical properties of (2R,3S,4R)-(+)-3,3',4,4',7-flavanpentol.

Cappelli C, Bronco S, Monti S. Cappelli C, et al. Among authors: monti s. Chirality. 2005 Nov;17(9):577-89. doi: 10.1002/chir.20210. Chirality. 2005. PMID: 16196026

2

Characterization of supramolecular polyphenol-chromium(III) clusters by molecular dynamics simulations.

Bronco S, Cappelli C, Monti S. Bronco S, et al. Among authors: monti s. J Phys Chem B. 2006 Jul 6;110(26):13227-34. doi: 10.1021/jp061776a. J Phys Chem B. 2006. PMID: 16805636

3

Towards the design of highly selective recognition sites into molecular imprinting polymers: a computational approach.

Monti S, Cappelli C, Bronco S, Giusti P, Ciardelli G. Monti S, et al. Biosens Bioelectron. 2006 Jul 15;22(1):153-63. doi: 10.1016/j.bios.2006.05.017. Epub 2006 Jun 23. Biosens Bioelectron. 2006. PMID: 16806890

4

Environmental effects on the spectroscopic properties of gallic acid: a combined classical and quantum mechanical study.

Cappelli C, Mennucci B, Monti S. Cappelli C, et al. Among authors: monti s. J Phys Chem A. 2005 Mar 10;109(9):1933-43. doi: 10.1021/jp044781s. J Phys Chem A. 2005. PMID: 16833527

5

Toward the supramolecular structure of collagen: a molecular dynamics approach.

Monti S, Bronco S, Cappelli C. Monti S, et al. J Phys Chem B. 2005 Jun 9;109(22):11389-98. doi: 10.1021/jp0440941. J Phys Chem B. 2005. PMID: 16852392

6

Ionic peptide aggregation: exploration of conformational dynamics in aqueous solution by computational techniques.

Duce C, Monti S, Solaro R, Tiné MR. Duce C, et al. Among authors: monti s. J Phys Chem B. 2007 Feb 8;111(5):1165-75. doi: 10.1021/jp066307n. J Phys Chem B. 2007. PMID: 17266271

7

Conformational analysis of Gly-Ala-NHMe in D(2)O and DMSO solutions: a two-dimensional infrared spectroscopy study.

Candelaresi M, Ragnoni E, Cappelli C, Corozzi A, Lima M, Monti S, Mennucci B, Nuti F, Papini AM, Foggi P. Candelaresi M, et al. Among authors: monti s. J Phys Chem B. 2013 Nov 21;117(46):14226-37. doi: 10.1021/jp406139t. Epub 2013 Nov 8. J Phys Chem B. 2013. PMID: 24164089

8

On the Calculation of Vibrational Frequencies for Molecules in Solution Beyond the Harmonic Approximation.

Cappelli C, Monti S, Scalmani G, Barone V. Cappelli C, et al. Among authors: monti s. J Chem Theory Comput. 2010 May 11;6(5):1660-9. doi: 10.1021/ct100048g. J Chem Theory Comput. 2010. PMID: 26615698

9

Peptide-TiO2 surface interaction in solution by ab initio and molecular dynamics simulations.

Carravetta V, Monti S. Carravetta V, et al. Among authors: monti s. J Phys Chem B. 2006 Mar 30;110(12):6160-9. doi: 10.1021/jp056760j. J Phys Chem B. 2006. PMID: 16553430

10

Structure and dynamics of the hydrogen-bond network around (R,R)-pterocarpans with biological activity in aqueous solution.

Alagona G, Ghio C, Monti S. Alagona G, et al. Among authors: monti s. J Phys Chem B. 2005 Sep 8;109(35):16918-25. doi: 10.1021/jp0527002. J Phys Chem B. 2005. PMID: 16853153

Specific angle and torsional parameters have been improved in order to match the geometries of the minimum energy structures obtained from an earlier DFT/ab initio study in vacuo, taking into account a few configurations [Alagona, G.; Ghio, C.; Monti, S. Phys. Chem. …

Specific angle and torsional parameters have been improved in order to match the geometries of the minimum energy structures obtained from a …

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