Orozco M - Search Results

1

Finding Conformational Transition Pathways from Discrete Molecular Dynamics Simulations.

Sfriso P, Emperador A, Orellana L, Hospital A, Gelpí JL, Orozco M. Sfriso P, et al. Among authors: orozco m. J Chem Theory Comput. 2012 Nov 13;8(11):4707-18. doi: 10.1021/ct300494q. Epub 2012 Sep 6. J Chem Theory Comput. 2012. PMID: 26605625

2

Glutaryl-CoA dehydrogenase deficiency in Spain: evidence of two groups of patients, genetically, and biochemically distinct.

Busquets C, Merinero B, Christensen E, Gelpí JL, Campistol J, Pineda M, Fernández-Alvarez E, Prats JM, Sans A, Arteaga R, Martí M, Campos J, Martínez-Pardo M, Martínez-Bermejo A, Ruiz-Falcó ML, Vaquerizo J, Orozco M, Ugarte M, Coll MJ, Ribes A. Busquets C, et al. Among authors: orozco m. Pediatr Res. 2000 Sep;48(3):315-22. doi: 10.1203/00006450-200009000-00009. Pediatr Res. 2000. PMID: 10960496

3

Theoretical study of the mechanisms of substrate recognition by catalase.

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

4

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. Among authors: orozco m. Proteins. 2001 Dec 1;45(4):428-37. doi: 10.1002/prot.1159. Proteins. 2001. PMID: 11746690

5

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: orozco m. J Am Chem Soc. 2003 May 14;125(19):5654-62. doi: 10.1021/ja0344157. J Am Chem Soc. 2003. PMID: 12733903

6

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: orozco m. J Comput Chem. 2003 Oct;24(13):1610-23. doi: 10.1002/jcc.10323. J Comput Chem. 2003. PMID: 12926005

7

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: orozco m. Proteins. 2004 Nov 15;57(3):458-67. doi: 10.1002/prot.20169. Proteins. 2004. PMID: 15382247

8

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: orozco m. Proteins. 2005 Jan 1;58(1):101-9. doi: 10.1002/prot.20292. Proteins. 2005. PMID: 15517587

9

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: orozco m. Bioinformatics. 2005 Jul 15;21(14):3176-8. doi: 10.1093/bioinformatics/bti486. Epub 2005 May 6. Bioinformatics. 2005. PMID: 15879453

10

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: orozco m. 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.

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