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Items: 15

1.

Pushing the Limits of Computational Structure-Based Drug Design with a Cryo-EM Structure: The Ca2+ Channel α2δ-1 Subunit as a Test Case.

Kotev M, Pascual R, Almansa C, Guallar V, Soliva R.

J Chem Inf Model. 2018 Aug 27;58(8):1707-1715. doi: 10.1021/acs.jcim.8b00347. Epub 2018 Aug 13.

PMID:
30053380
2.

Challenges of docking in large, flexible and promiscuous binding sites.

Kotev M, Soliva R, Orozco M.

Bioorg Med Chem. 2016 Oct 15;24(20):4961-4969. doi: 10.1016/j.bmc.2016.08.010. Epub 2016 Aug 6.

3.

Computational Prediction of HIV-1 Resistance to Protease Inhibitors.

Hosseini A, Alibés A, Noguera-Julian M, Gil V, Paredes R, Soliva R, Orozco M, Guallar V.

J Chem Inf Model. 2016 May 23;56(5):915-23. doi: 10.1021/acs.jcim.5b00667. Epub 2016 May 5.

PMID:
27082876
4.

Allosteric regulation of PKCθ: understanding multistep phosphorylation and priming by ligands in AGC kinases.

Seco J, Ferrer-Costa C, Campanera JM, Soliva R, Barril X.

Proteins. 2012 Jan;80(1):269-80. doi: 10.1002/prot.23205. Epub 2011 Nov 9.

PMID:
22072623
5.
6.

Molecular modelling.

Barril X, Soliva R.

Mol Biosyst. 2006 Dec;2(12):660-81. Epub 2006 Oct 19. No abstract available.

PMID:
17216047
7.

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.

Protein Sci. 2006 Nov;15(11):2525-33. Epub 2006 Sep 25.

8.

Synthesis and structure-activity relationship of a new series of COX-2 selective inhibitors: 1,5-diarylimidazoles.

Almansa C, Alfón J, de Arriba AF, Cavalcanti FL, Escamilla I, Gómez LA, Miralles A, Soliva R, Bartrolí J, Carceller E, Merlos M, García-Rafanell J.

J Med Chem. 2003 Jul 31;46(16):3463-75.

PMID:
12877584
9.

Theoretical studies on the inhibition mechanism of cyclooxygenase-2. Is there a unique recognition site?

Soliva R, Almansa C, Kalko SG, Luque FJ, Orozco M.

J Med Chem. 2003 Apr 10;46(8):1372-82.

PMID:
12672237
10.

Solution structure of a DNA duplex with a chiral alkyl phosphonate moiety.

Soliva R, Monaco V, Gómez-Pinto I, Meeuwenoord NJ, Marel GA, Boom JH, González C, Orozco M.

Nucleic Acids Res. 2001 Jul 15;29(14):2973-85.

11.

DNA-triplex stabilizing properties of 8-aminoguanine.

Soliva R, Güimil García R, Blas JR, Eritja R, Asensio JL, González C, Luque FJ, Orozco M.

Nucleic Acids Res. 2000 Nov 15;28(22):4531-9.

12.
13.

Role of sugar re-puckering in the transition of A and B forms of DNA in solution. A molecular dynamics study.

Soliva R, Luque FJ, Alhambra C, Orozco M.

J Biomol Struct Dyn. 1999 Aug;17(1):89-99.

PMID:
10496424
14.

Can G-C Hoogsteen-wobble pairs contribute to the stability of d(G. C-C) triplexes?

Soliva R, Luque FJ, Orozco M.

Nucleic Acids Res. 1999 Jun 1;27(11):2248-55.

15.

The GAGA factor of Drosophila binds triple-stranded DNA.

Jiménez-García E, Vaquero A, Espinás ML, Soliva R, Orozco M, Bernués J, Azorín F.

J Biol Chem. 1998 Sep 18;273(38):24640-8.

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