Gelpí JL - Search Results

1

Long-timescale dynamics of the Drew-Dickerson dodecamer.

Dans PD, Danilāne L, Ivani I, Dršata T, Lankaš F, Hospital A, Walther J, Pujagut RI, Battistini F, Gelpí JL, Lavery R, Orozco M. Dans PD, et al. Among authors: gelpi jl. Nucleic Acids Res. 2016 May 19;44(9):4052-66. doi: 10.1093/nar/gkw264. Epub 2016 Apr 15. Nucleic Acids Res. 2016. PMID: 27084952 Free PMC article.

2

Theoretical study of the mechanisms of substrate recognition by catalase.

Kalko SG, Gelpí JL, Fita I, Orozco M. Kalko SG, et al. Among authors: gelpi jl. J Am Chem Soc. 2001 Oct 3;123(39):9665-72. doi: 10.1021/ja010512t. J Am Chem Soc. 2001. PMID: 11572688

3

Four-stranded DNA structure stabilized by a novel G:C:A:T tetrad.

Escaja N, Gelpí JL, Orozco M, Rico M, Pedroso E, González C. Escaja N, et al. Among authors: gelpi jl. J Am Chem Soc. 2003 May 14;125(19):5654-62. doi: 10.1021/ja0344157. J Am Chem Soc. 2003. PMID: 12733903

4

Continuum and discrete calculation of fractional contributions to solvation free energy.

Morreale A, Gelpí JL, Luque FJ, Orozco M. Morreale A, et al. Among authors: gelpi jl. J Comput Chem. 2003 Oct;24(13):1610-23. doi: 10.1002/jcc.10323. J Comput Chem. 2003. PMID: 12926005

5

Linear response theory: an alternative to PB and GB methods for the analysis of molecular dynamics trajectories?

Morreale A, de la Cruz X, Meyer T, Gelpí JL, Luque FJ, Orozco M. Morreale A, et al. Among authors: gelpi jl. Proteins. 2004 Nov 15;57(3):458-67. doi: 10.1002/prot.20169. Proteins. 2004. PMID: 15382247

6

Partition of protein solvation into group contributions from molecular dynamics simulations.

Morreale A, de la Cruz X, Meyer T, Gelpí JL, Luque FJ, Orozco M. Morreale A, et al. Among authors: gelpi jl. Proteins. 2005 Jan 1;58(1):101-9. doi: 10.1002/prot.20292. Proteins. 2005. PMID: 15517587

7

PMUT: a web-based tool for the annotation of pathological mutations on proteins.

Ferrer-Costa C, Gelpí JL, Zamakola L, Parraga I, de la Cruz X, Orozco M. Ferrer-Costa C, et al. Among authors: gelpi jl. Bioinformatics. 2005 Jul 15;21(14):3176-8. doi: 10.1093/bioinformatics/bti486. Epub 2005 May 6. Bioinformatics. 2005. PMID: 15879453

8

A fast method for the determination of fractional contributions to solvation in proteins.

Talavera D, Morreale A, Meyer T, Hospital A, Ferrer-Costa C, Gelpi JL, de la Cruz X, Soliva R, Luque FJ, Orozco M. Talavera D, et al. Among authors: gelpi jl. Protein Sci. 2006 Nov;15(11):2525-33. doi: 10.1110/ps.062406706. Epub 2006 Sep 25. Protein Sci. 2006. PMID: 17001031 Free PMC article.

9

A consensus view of protein dynamics.

Rueda M, Ferrer-Costa C, Meyer T, Pérez A, Camps J, Hospital A, Gelpí JL, Orozco M. Rueda M, et al. Among authors: gelpi jl. Proc Natl Acad Sci U S A. 2007 Jan 16;104(3):796-801. doi: 10.1073/pnas.0605534104. Epub 2007 Jan 10. Proc Natl Acad Sci U S A. 2007. PMID: 17215349 Free PMC article.

10

Dissection of the recognition properties of p38 MAP kinase. Determination of the binding mode of a new pyridinyl-heterocycle inhibitor family.

Soliva R, Gelpí JL, Almansa C, Virgili M, Orozco M. Soliva R, et al. Among authors: gelpi jl. J Med Chem. 2007 Jan 25;50(2):283-93. doi: 10.1021/jm061073h. J Med Chem. 2007. PMID: 17228870

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