Villa A - Search Results

1

Conformational behaviour determines the low-relaxivity state of a conditional MRI contrast agent.

Cosentino U, Pitea D, Moro G, Saracino GA, Villa A. Cosentino U, et al. Among authors: villa a. Phys Chem Chem Phys. 2009 May 28;11(20):3943-50. doi: 10.1039/b902049g. Epub 2009 Apr 20. Phys Chem Chem Phys. 2009. PMID: 19440623

2

Conformational characterization of lanthanide(III)-DOTA complexes by ab initio investigation in vacuo and in aqueous solution.

Cosentino U, Villa A, Pitea D, Moro G, Barone V, Maiocchi A. Cosentino U, et al. Among authors: villa a. J Am Chem Soc. 2002 May 1;124(17):4901-9. doi: 10.1021/ja017666t. J Am Chem Soc. 2002. PMID: 11971741

3

Conformational polymorphism of the PrP106-126 peptide in different environments: a molecular dynamics study.

Villa A, Mark AE, Saracino GA, Cosentino U, Pitea D, Moro G, Salmona M. Villa A, et al. J Phys Chem B. 2006 Jan 26;110(3):1423-8. doi: 10.1021/jp052722o. J Phys Chem B. 2006. PMID: 16471693

4

Spontaneous beta-helical fold in prion protein: the case of PrP(82-146).

Saracino GA, Villa A, Moro G, Cosentino U, Salmona M. Saracino GA, et al. Among authors: villa a. Proteins. 2009 Jun;75(4):964-76. doi: 10.1002/prot.22306. Proteins. 2009. PMID: 19089953

5

Self-assembling dipeptides: conformational sampling in solvent-free coarse-grained simulation.

Villa A, Peter C, van der Vegt NF. Villa A, et al. Phys Chem Chem Phys. 2009 Mar 28;11(12):2077-86. doi: 10.1039/b818144f. Epub 2009 Feb 2. Phys Chem Chem Phys. 2009. PMID: 19280018

6

Dynamics and structure of Ln(III)-aqua ions: a comparative molecular dynamics study using ab initio based flexible and polarizable model potentials.

Villa A, Hess B, Saint-Martin H. Villa A, et al. J Phys Chem B. 2009 May 21;113(20):7270-81. doi: 10.1021/jp8097445. J Phys Chem B. 2009. PMID: 19402691

7

Self-assembling dipeptides: including solvent degrees of freedom in a coarse-grained model.

Villa A, van der Vegt NF, Peter C. Villa A, et al. Phys Chem Chem Phys. 2009 Mar 28;11(12):2068-76. doi: 10.1039/b818146m. Epub 2009 Feb 2. Phys Chem Chem Phys. 2009. PMID: 19280017

In the previous paper [A. Villa, C. Peter, N. F. A. van der Vegt, Phys. Chem. Chem. Phys., 2009, DOI: ], a strategy to develop a solvent-free coarse-grained model for peptides is outlined which is based on an atomistic (force field) description. …

In the previous paper [A. Villa, C. Peter, N. F. A. van der Vegt, Phys. Chem. Chem. Phys., 2009, DOI: ], a strat …

8

How sensitive are nanosecond molecular dynamics simulations of proteins to changes in the force field?

Villa A, Fan H, Wassenaar T, Mark AE. Villa A, et al. J Phys Chem B. 2007 May 31;111(21):6015-25. doi: 10.1021/jp068580v. Epub 2007 May 10. J Phys Chem B. 2007. PMID: 17489626

9

On the characterization of host-guest complexes: surface tension, calorimetry, and molecular dynamics of cyclodextrins with a non-ionic surfactant.

Piñeiro A, Banquy X, Pérez-Casas S, Tovar E, García A, Villa A, Amigo A, Mark AE, Costas M. Piñeiro A, et al. Among authors: villa a. J Phys Chem B. 2007 May 3;111(17):4383-92. doi: 10.1021/jp0688815. Epub 2007 Apr 12. J Phys Chem B. 2007. PMID: 17428087

10

Molecular dynamics simulation of the structure, dynamics, and thermostability of the RNA hairpins uCACGg and cUUCGg.

Villa A, Widjajakusuma E, Stock G. Villa A, et al. J Phys Chem B. 2008 Jan 10;112(1):134-42. doi: 10.1021/jp0764337. Epub 2007 Dec 11. J Phys Chem B. 2008. PMID: 18069816

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