Saladino G - Search Results

1

Metadynamics study of a β-hairpin stability in mixed solvents.

Saladino G, Pieraccini S, Rendine S, Recca T, Francescato P, Speranza G, Sironi M. Saladino G, et al. J Am Chem Soc. 2011 Mar 9;133(9):2897-903. doi: 10.1021/ja105030m. Epub 2011 Feb 14. J Am Chem Soc. 2011. PMID: 21319797

2

In silico design of tubulin-targeted antimitotic peptides.

Pieraccini S, Saladino G, Cappelletti G, Cartelli D, Francescato P, Speranza G, Manitto P, Sironi M. Pieraccini S, et al. Among authors: saladino g. Nat Chem. 2009 Nov;1(8):642-8. doi: 10.1038/nchem.401. Epub 2009 Oct 23. Nat Chem. 2009. PMID: 21378956

3

A Simple Mechanism Underlying the Effect of Protecting Osmolytes on Protein Folding.

Saladino G, Marenchino M, Pieraccini S, Campos-Olivas R, Sironi M, Gervasio FL. Saladino G, et al. J Chem Theory Comput. 2011 Nov 8;7(11):3846-52. doi: 10.1021/ct200471w. Epub 2011 Oct 6. J Chem Theory Comput. 2011. PMID: 26598273

4

Understanding Cryptic Pocket Formation in Protein Targets by Enhanced Sampling Simulations.

Oleinikovas V, Saladino G, Cossins BP, Gervasio FL. Oleinikovas V, et al. Among authors: saladino g. J Am Chem Soc. 2016 Nov 2;138(43):14257-14263. doi: 10.1021/jacs.6b05425. Epub 2016 Oct 20. J Am Chem Soc. 2016. PMID: 27726386 Free article.

5

Investigating drug-target association and dissociation mechanisms using metadynamics-based algorithms.

Cavalli A, Spitaleri A, Saladino G, Gervasio FL. Cavalli A, et al. Among authors: saladino g. Acc Chem Res. 2015 Feb 17;48(2):277-85. doi: 10.1021/ar500356n. Epub 2014 Dec 12. Acc Chem Res. 2015. PMID: 25496113 Free article. Review.

6

The Role of Protein Loops and Linkers in Conformational Dynamics and Allostery.

Papaleo E, Saladino G, Lambrughi M, Lindorff-Larsen K, Gervasio FL, Nussinov R. Papaleo E, et al. Among authors: saladino g. Chem Rev. 2016 Jun 8;116(11):6391-423. doi: 10.1021/acs.chemrev.5b00623. Epub 2016 Feb 18. Chem Rev. 2016. PMID: 26889708 Review.

7

New Insights into the Molecular Mechanism of E-Cadherin-Mediated Cell Adhesion by Free Energy Calculations.

Doro F, Saladino G, Belvisi L, Civera M, Gervasio FL. Doro F, et al. Among authors: saladino g. J Chem Theory Comput. 2015 Apr 14;11(4):1354-9. doi: 10.1021/ct5010164. J Chem Theory Comput. 2015. PMID: 26574347

8

An Efficient Metadynamics-Based Protocol To Model the Binding Affinity and the Transition State Ensemble of G-Protein-Coupled Receptor Ligands.

Saleh N, Ibrahim P, Saladino G, Gervasio FL, Clark T. Saleh N, et al. Among authors: saladino g. J Chem Inf Model. 2017 May 22;57(5):1210-1217. doi: 10.1021/acs.jcim.6b00772. Epub 2017 May 8. J Chem Inf Model. 2017. PMID: 28453271

9

Bridging the Gap between Folding Simulations and Experiments: The Case of the Villin Headpiece.

Saladino G, Marenchino M, Gervasio FL. Saladino G, et al. J Chem Theory Comput. 2011 Sep 13;7(9):2675-80. doi: 10.1021/ct2002489. Epub 2011 Aug 3. J Chem Theory Comput. 2011. PMID: 26605458

10

Efficient numerical reconstruction of protein folding kinetics with partial path sampling and pathlike variables.

Juraszek J, Saladino G, van Erp TS, Gervasio FL. Juraszek J, et al. Among authors: saladino g. Phys Rev Lett. 2013 Mar 8;110(10):108106. doi: 10.1103/PhysRevLett.110.108106. Epub 2013 Mar 8. Phys Rev Lett. 2013. PMID: 23521305

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