Publications by authors named "Jesus Mendieta"

30Publications

Proton Transfer in Guanine-Cytosine Base Pairs in B-DNA.

J Chem Theory Comput 2019 Dec 8;15(12):6984-6991. Epub 2019 Nov 8.

Departamento de Física Teórica de la Materia Condensada and Condensed Matter Physics Center (IFIMAC), Facultad de Ciencias , Universidad Autónoma de Madrid , E-28049 Madrid , Spain.

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http://dx.doi.org/10.1021/acs.jctc.9b00757DOI Listing
December 2019

Heterochiral recognition among functionalized heptahelicenes on noble metal surfaces.

Chem Commun (Camb) 2019 Aug;55(71):10595-10598

Empa, Swiss Federal Laboratories for Materials Science and Technology, 8600 Dübendorf, Switzerland.

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http://dx.doi.org/10.1039/c9cc05317dDOI Listing
August 2019

Amino acid residues in HIV-2 reverse transcriptase that restrict the development of nucleoside analogue resistance through the excision pathway.

J Biol Chem 2018 02 22;293(7):2247-2259. Epub 2017 Dec 22.

From the Centro de Biología Molecular "Severo Ochoa" (Consejo Superior de Investigaciones Científicas and Universidad Autónoma de Madrid), c/Nicolás Cabrera, 1, Campus de Cantoblanco, 28049 Madrid,

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http://dx.doi.org/10.1074/jbc.RA117.000177DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC5818179PMC
February 2018

Effect of water-DNA interactions on elastic properties of DNA self-assembled monolayers.

Sci Rep 2017 04 3;7(1):536. Epub 2017 Apr 3.

Bionanomechanics Lab, Instituto de Microelectrónica de Madrid, IMM-CNM (CSIC), Isaac Newton 8 (PTM), E-28760, Tres Cantos, Madrid, Spain.

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http://dx.doi.org/10.1038/s41598-017-00605-xDOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC5428875PMC
April 2017

Quantum Mechanics/Molecular Mechanics Free Energy Maps and Nonadiabatic Simulations for a Photochemical Reaction in DNA: Cyclobutane Thymine Dimer.

J Phys Chem Lett 2016 Nov 25;7(21):4391-4397. Epub 2016 Oct 25.

Departamento de Física Teórica de la Materia Condensada and Condensed Matter Physics Center (IFIMAC), Universidad Autónoma de Madrid , ES-28049 Madrid, Spain.

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http://dx.doi.org/10.1021/acs.jpclett.6b02168DOI Listing
November 2016

A Practical Quantum Mechanics Molecular Mechanics Method for the Dynamical Study of Reactions in Biomolecules.

Adv Protein Chem Struct Biol 2015 15;100:67-88. Epub 2015 Jul 15.

Molecular Modelling Group, Center of Molecular Biology "Severo Ochoa" (CSIC-UAM), Madrid, Spain; Biomol-Informatics SL, Campus UAM, Madrid, Spain.

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https://linkinghub.elsevier.com/retrieve/pii/S18761623150003
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http://dx.doi.org/10.1016/bs.apcsb.2015.06.003DOI Listing
July 2016

fireball/amber: An Efficient Local-Orbital DFT QM/MM Method for Biomolecular Systems.

J Chem Theory Comput 2014 May;10(5):2185-93

Departamento de Física Teórica de la Materia Condensada and Condensed Matter Physics Center (IFIMAC), Universidad Autónoma de Madrid , ES-28049 Madrid, Spain.

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http://dx.doi.org/10.1021/ct500033wDOI Listing
May 2014

Molecular basis of the association of H208Y and thymidine analogue resistance mutations M41L, L210W and T215Y in the HIV-1 reverse transcriptase of treated patients.

Antiviral Res 2014 Jun 22;106:42-52. Epub 2014 Mar 22.

Centro de Biología Molecular "Severo Ochoa" (Consejo Superior de Investigaciones Científicas & Universidad Autónoma de Madrid), Madrid, Spain. Electronic address:

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http://dx.doi.org/10.1016/j.antiviral.2014.03.004DOI Listing
June 2014

Torsion and curvature of FtsZ filaments.

Soft Matter 2014 Mar;10(12):1977-86

Departamento de Física Teórica de la Materia Condensada, Universidad Autónoma de Madrid, E-28049 Madrid, Spain.

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http://dx.doi.org/10.1039/c3sm52516cDOI Listing
March 2014

Simulation of catalytic water activation in mitochondrial F1-ATPase using a hybrid quantum mechanics/molecular mechanics approach: an alternative role for β-Glu 188.

Biochemistry 2013 Feb 25;52(5):959-66. Epub 2013 Jan 25.

Molecular Modelling Group, Centro de Biología Molecular Severo Ochoa (CSIC-UAM), C/Nicolás Cabrera 1, Cantoblanco, Madrid, Spain.

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http://dx.doi.org/10.1021/bi301109xDOI Listing
February 2013

Functional specificity of a protein-DNA complex mediated by two arginines bound to the minor groove.

J Bacteriol 2012 Sep 29;194(17):4727-35. Epub 2012 Jun 29.

Instituto de Biología Molecular Eladio Viñuela (CSIC), Centro de Biología Molecular Severo Ochoa (CSIC-UAM), Universidad Autónoma de Madrid, Madrid, Spain.

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http://dx.doi.org/10.1128/JB.00677-12DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3415518PMC
September 2012

Molecular dynamics analysis of conformational change of paramyxovirus F protein during the initial steps of membrane fusion.

Biochem Biophys Res Commun 2012 Mar 28;420(1):42-7. Epub 2012 Feb 28.

Centro de Biología Molecular Severo Ochoa (CSIC/UAM), C/ Nicolás Cabrera, 1, Cantoblanco, 28049 Madrid, Spain.

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http://dx.doi.org/10.1016/j.bbrc.2012.02.112DOI Listing
March 2012

The Role of Gln61 in HRas GTP hydrolysis: a quantum mechanics/molecular mechanics study.

Biophys J 2012 Jan 3;102(1):152-7. Epub 2012 Jan 3.

Centro de Biología Molecular Severo Ochoa (Consejo Superior de Investigaciones Cientificas-Universidad Autónoma de Madrid), Madrid, Spain.

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http://dx.doi.org/10.1016/j.bpj.2011.11.4005DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3250681PMC
January 2012

Technical phosphoproteomic and bioinformatic tools useful in cancer research.

J Clin Bioinforma 2011 Oct 3;1:26. Epub 2011 Oct 3.

Servicio de Digestivo, Hospital Universitario 12 Octubre, Avda de Córdoba s/n Madrid, 28041, Spain.

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http://dx.doi.org/10.1186/2043-9113-1-26DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3195713PMC
October 2011

Thymidine analogue excision and discrimination modulated by mutational complexes including single amino acid deletions of Asp-67 or Thr-69 in HIV-1 reverse transcriptase.

J Biol Chem 2011 Jun 19;286(23):20615-24. Epub 2011 Apr 19.

Centro de Biología Molecular Severo Ochoa, Consejo Superior de Investigaciones Científicas and Universidad Autónoma de Madrid, 28049 Madrid, Spain.

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http://dx.doi.org/10.1074/jbc.M111.226100DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3121480PMC
June 2011

Nanomechanics of the cadherin ectodomain: "canalization" by Ca2+ binding results in a new mechanical element.

J Biol Chem 2011 Mar 22;286(11):9405-18. Epub 2010 Dec 22.

Instituto Cajal/Consejo Superior de Investigaciones Científicas, Centro de Investigación Biomédica en Red sobre Enfermedades Neurodegenerativas (CIBERNED), and Instituto Madrileño de Estudios Avanzados Nanociencia, Avenida Doctor Arce 37, E-28002 Madrid, Spain.

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http://dx.doi.org/10.1074/jbc.M110.170399DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3058956PMC
March 2011

Mechanistic basis of zidovudine hypersusceptibility and lamivudine resistance conferred by the deletion of codon 69 in the HIV-1 reverse transcriptase coding region.

J Mol Biol 2008 Oct 17;382(2):327-41. Epub 2008 Jul 17.

Centro de Biología Molecular Severo Ochoa, Consejo Superior de Investigaciones Científicas and Universidad Autónoma de Madrid, 28049 Madrid, Spain.

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http://dx.doi.org/10.1016/j.jmb.2008.07.030DOI Listing
October 2008

Residues in human respiratory syncytial virus P protein that are essential for its activity on RNA viral synthesis.

Virus Res 2008 Mar 7;132(1-2):160-73. Epub 2008 Jan 7.

Instituto de Salud Carlos III, Ctra. Majadahonda, Madrid 28220, Spain.

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http://dx.doi.org/10.1016/j.virusres.2007.11.013DOI Listing
March 2008

A Mg2+-induced conformational switch rendering a competent DNA polymerase catalytic complex.

Proteins 2008 May;71(2):565-74

Centro de Biología Molecular "Severo Ochoa," Consejo Superior de Investigaciones Científicas-Universidad Autónoma de Madrid, Cantoblanco, Madrid 28049, Spain.

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http://dx.doi.org/10.1002/prot.21711DOI Listing
May 2008

Use of a dominant rpsL allele conferring streptomycin dependence for positive and negative selection in Thermus thermophilus.

Appl Environ Microbiol 2007 Aug 29;73(16):5138-45. Epub 2007 Jun 29.

Centro de Biologia Molecular Severo Ochoa, CSIC-UAM, Campus de Cantoblanco, 28049 Madrid, Spain.

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http://dx.doi.org/10.1128/AEM.00751-07DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC1950985PMC
August 2007

DNA sequence-specific recognition by a transcriptional regulator requires indirect readout of A-tracts.

Nucleic Acids Res 2007 22;35(10):3252-61. Epub 2007 Apr 22.

Instituto de Biología Molecular Eladio Viñuela (CSIC), Centro de Biología Molecular Severo Ochoa (CSIC-UAM), Universidad Autónoma, Canto Blanco, 28049 Madrid, Spain.

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https://academic.oup.com/nar/article-lookup/doi/10.1093/nar/
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http://dx.doi.org/10.1093/nar/gkm180DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC1904284PMC
June 2007

Binding of 5'-GMP to the GluR2 AMPA receptor: insight from targeted molecular dynamics simulations.

Biochemistry 2005 Nov;44(44):14470-6

Centro de Biología Molecular Severo Ochoa, Universidad Autónoma, E-28049 Cantoblanco, Madrid, Spain.

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http://dx.doi.org/10.1021/bi051084xDOI Listing
November 2005

Phosphorylation modulates the alpha-helical structure and polymerization of a peptide from the third tau microtubule-binding repeat.

Biochim Biophys Acta 2005 Jan 5;1721(1-3):16-26. Epub 2004 Nov 5.

Centro de Biología Molecular Severo Ochoa CSIC/UAM, Fac. Ciencias, Universidad Autónoma de Madrid, Cantoblanco, 28049 Madrid, Spain.

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http://dx.doi.org/10.1016/j.bbagen.2004.09.009DOI Listing
January 2005

In silico activation of Src tyrosine kinase reveals the molecular basis for intramolecular autophosphorylation.

J Mol Graph Model 2004 Oct;23(2):189-98

Departamento de Farmacología, Universidad de Alcalá, E-28871 Alcalá de Henares, Madrid, Spain.

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http://dx.doi.org/10.1016/j.jmgm.2004.06.001DOI Listing
October 2004

Role of histidine-85 in the catalytic mechanism of thymidine phosphorylase as assessed by targeted molecular dynamics simulations and quantum mechanical calculations.

Biochemistry 2004 Jan;43(2):405-14

Departamento de Farmacología, Universidad de Alcalá, E-28871 Alcalá de Henares, Madrid, Spain, Instituto de Química Médica, CSIC, Juan de la Cierva 3, 28006 Madrid, Spain.

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http://dx.doi.org/10.1021/bi034793oDOI Listing
January 2004

A 3.(ET743)-DNA complex that both resembles an RNA-DNA hybrid and mimicks zinc finger-induced DNA structural distortions.

J Med Chem 2002 Feb;45(4):871-80

Departamento de Farmacología, Universidad de Alcalá, E-28871 Alcalá de Henares, Madrid, Spain.

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http://dx.doi.org/10.1021/jm010370dDOI Listing
February 2002