Soliva R - Search Results

1

Characterization of p38α autophosphorylation inhibitors that target the non-canonical activation pathway.

González L, Díaz L, Pous J, Baginski B, Duran-Corbera A, Scarpa M, Brun-Heath I, Igea A, Martin-Malpartida P, Ruiz L, Pallara C, Esguerra M, Colizzi F, Mayor-Ruiz C, Biondi RM, Soliva R, Macias MJ, Orozco M, Nebreda AR. González L, et al. Among authors: soliva r. Nat Commun. 2023 Jun 12;14(1):3318. doi: 10.1038/s41467-023-39051-x. Nat Commun. 2023. PMID: 37308482 Free PMC article.

2

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

Kotev M, Soliva R, Orozco M. Kotev M, et al. Among authors: soliva r. Bioorg Med Chem. 2016 Oct 15;24(20):4961-4969. doi: 10.1016/j.bmc.2016.08.010. Epub 2016 Aug 6. Bioorg Med Chem. 2016. PMID: 27545443 Free article.

3

Exploring the Conformational Landscape of Bioactive Small Molecules.

Zivanovic S, Colizzi F, Moreno D, Hospital A, Soliva R, Orozco M. Zivanovic S, et al. Among authors: soliva r. J Chem Theory Comput. 2020 Oct 13;16(10):6575-6585. doi: 10.1021/acs.jctc.0c00304. Epub 2020 Sep 2. J Chem Theory Comput. 2020. PMID: 32786895

4

DFFR: A New Method for High-Throughput Recalibration of Automatic Force-Fields for Drugs.

Moreno D, Zivanovic S, Colizzi F, Hospital A, Aranda J, Soliva R, Orozco M. Moreno D, et al. Among authors: soliva r. J Chem Theory Comput. 2020 Oct 13;16(10):6598-6608. doi: 10.1021/acs.jctc.0c00306. Epub 2020 Sep 29. J Chem Theory Comput. 2020. PMID: 32856910

5

Bioactive Conformational Ensemble Server and Database. A Public Framework to Speed Up In Silico Drug Discovery.

Zivanovic S, Bayarri G, Colizzi F, Moreno D, Gelpí JL, Soliva R, Hospital A, Orozco M. Zivanovic S, et al. Among authors: soliva r. J Chem Theory Comput. 2020 Oct 13;16(10):6586-6597. doi: 10.1021/acs.jctc.0c00305. Epub 2020 Sep 1. J Chem Theory Comput. 2020. PMID: 32786900

6

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

Soliva R, Luque FJ, Orozco M. Soliva R, et al. Nucleic Acids Res. 1999 Jun 1;27(11):2248-55. doi: 10.1093/nar/27.11.2248. Nucleic Acids Res. 1999. PMID: 10325411 Free PMC article.

7

High-Throughput Prediction of the Impact of Genetic Variability on Drug Sensitivity and Resistance Patterns for Clinically Relevant Epidermal Growth Factor Receptor Mutations from Atomistic Simulations.

Suriñach A, Hospital A, Westermaier Y, Jordà L, Orozco-Ruiz S, Beltrán D, Colizzi F, Andrio P, Soliva R, Municoy M, Gelpí JL, Orozco M. Suriñach A, et al. Among authors: soliva r. J Chem Inf Model. 2023 Jan 9;63(1):321-334. doi: 10.1021/acs.jcim.2c01344. Epub 2022 Dec 28. J Chem Inf Model. 2023. PMID: 36576351

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. J Med Chem. 2007 Jan 25;50(2):283-93. doi: 10.1021/jm061073h. J Med Chem. 2007. PMID: 17228870

9

Misincorporation of 2'-deoxyoxanosine into DNA: a molecular basis for NO-induced mutagenesis derived from theoretical calculations.

Hernández B, Soliva R, Luque FJ, Orozco M. Hernández B, et al. Among authors: soliva r. Nucleic Acids Res. 2000 Dec 15;28(24):4873-83. doi: 10.1093/nar/28.24.4873. Nucleic Acids Res. 2000. PMID: 11121478 Free PMC article.

10

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. Soliva R, et al. J Biomol Struct Dyn. 1999 Aug;17(1):89-99. doi: 10.1080/07391102.1999.10508343. J Biomol Struct Dyn. 1999. PMID: 10496424

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