Gelpí JL - Search Results

1

Inntags: small self-structured epitopes for innocuous protein tagging.

Georgieva MV, Yahya G, Codó L, Ortiz R, Teixidó L, Claros J, Jara R, Jara M, Iborra A, Gelpí JL, Gallego C, Orozco M, Aldea M. Georgieva MV, et al. Among authors: gelpi jl. Nat Methods. 2015 Oct;12(10):955-8. doi: 10.1038/nmeth.3556. Epub 2015 Aug 31. Nat Methods. 2015. PMID: 26322837

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

Classical molecular interaction potentials: improved setup procedure in molecular dynamics simulations of proteins.

Gelpí JL, Kalko SG, Barril X, Cirera J, de La Cruz X, Luque FJ, Orozco M. Gelpí JL, et al. Proteins. 2001 Dec 1;45(4):428-37. doi: 10.1002/prot.1159. Proteins. 2001. PMID: 11746690

4

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

5

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

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

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.

8

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

9

FlexServ: an integrated tool for the analysis of protein flexibility.

Camps J, Carrillo O, Emperador A, Orellana L, Hospital A, Rueda M, Cicin-Sain D, D'Abramo M, Gelpí JL, Orozco M. Camps J, et al. Among authors: gelpi jl. Bioinformatics. 2009 Jul 1;25(13):1709-10. doi: 10.1093/bioinformatics/btp304. Epub 2009 May 7. Bioinformatics. 2009. PMID: 19429600

10

MoDEL (Molecular Dynamics Extended Library): a database of atomistic molecular dynamics trajectories.

Meyer T, D'Abramo M, Hospital A, Rueda M, Ferrer-Costa C, Pérez A, Carrillo O, Camps J, Fenollosa C, Repchevsky D, Gelpí JL, Orozco M. Meyer T, et al. Among authors: gelpi jl. Structure. 2010 Nov 10;18(11):1399-409. doi: 10.1016/j.str.2010.07.013. Structure. 2010. PMID: 21070939 Free article.

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