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BIGNASim: a NoSQL database structure and analysis portal for nucleic acids simulation data.
Nucleic Acids Res. 2016 Jan 4;44(D1):D272-8. doi: 10.1093/nar/gkv1301. Epub 2015 Nov 26.
Nucleic Acids Res. 2016.
PMID: 26612862
Free PMC article.
MDWeb and MDMoby: an integrated web-based platform for molecular dynamics simulations.
Hospital A, Andrio P, Fenollosa C, Cicin-Sain D, Orozco M, Gelpí JL.
Hospital A, et al. Among authors: andrio p.
Bioinformatics. 2012 May 1;28(9):1278-9. doi: 10.1093/bioinformatics/bts139. Epub 2012 Mar 21.
Bioinformatics. 2012.
PMID: 22437851
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Parmbsc1: a refined force field for DNA simulations.
Ivani I, Dans PD, Noy A, Pérez A, Faustino I, Hospital A, Walther J, Andrio P, Goñi R, Balaceanu A, Portella G, Battistini F, Gelpí JL, González C, Vendruscolo M, Laughton CA, Harris SA, Case DA, Orozco M.
Ivani I, et al. Among authors: andrio p.
Nat Methods. 2016 Jan;13(1):55-8. doi: 10.1038/nmeth.3658. Epub 2015 Nov 16.
Nat Methods. 2016.
PMID: 26569599
Free PMC article.
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BioExcel Building Blocks REST API (BioBB REST API), programmatic access to interoperable biomolecular simulation tools.
Bayarri G, Andrio P, Hospital A, Orozco M, Gelpí JL.
Bayarri G, et al. Among authors: andrio p.
Bioinformatics. 2022 Jun 13;38(12):3302-3303. doi: 10.1093/bioinformatics/btac316.
Bioinformatics. 2022.
PMID: 35543460
Free article.
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BioExcel Building Blocks Workflows (BioBB-Wfs), an integrated web-based platform for biomolecular simulations.
Bayarri G, Andrio P, Hospital A, Orozco M, Gelpí JL.
Bayarri G, et al. Among authors: andrio p.
Nucleic Acids Res. 2022 Jul 5;50(W1):W99-W107. doi: 10.1093/nar/gkac380.
Nucleic Acids Res. 2022.
PMID: 35639735
Free PMC article.
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BioExcel Building Blocks, a software library for interoperable biomolecular simulation workflows.
Andrio P, Hospital A, Conejero J, Jordá L, Del Pino M, Codo L, Soiland-Reyes S, Goble C, Lezzi D, Badia RM, Orozco M, Gelpi JL.
Andrio P, et al.
Sci Data. 2019 Sep 10;6(1):169. doi: 10.1038/s41597-019-0177-4.
Sci Data. 2019.
PMID: 31506435
Free PMC article.
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SEABED: Small molEcule activity scanner weB servicE baseD.
Fenollosa C, Otón M, Andrio P, Cortés J, Orozco M, Goñi JR.
Fenollosa C, et al. Among authors: andrio p.
Bioinformatics. 2015 Mar 1;31(5):773-5. doi: 10.1093/bioinformatics/btu709. Epub 2014 Oct 27.
Bioinformatics. 2015.
PMID: 25348211
Free PMC article.
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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: andrio p.
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
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