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2010 | 2 |
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Methods and tools for the prediction of hydrodynamic coefficients and other solution properties of flexible macromolecules in solution. A tutorial minireview.
Macromol Biosci. 2010 Jul 7;10(7):721-30. doi: 10.1002/mabi.200900464.
Macromol Biosci. 2010.
PMID: 20461749
Review.
Current Status of Carbohydrates Information in the Protein Data Bank.
de Meirelles JL, Nepomuceno FC, Peña-García J, Schmidt RR, Pérez-Sánchez H, Verli H.
de Meirelles JL, et al. Among authors: schmidt rr.
J Chem Inf Model. 2020 Feb 24;60(2):684-699. doi: 10.1021/acs.jcim.9b00874. Epub 2020 Jan 28.
J Chem Inf Model. 2020.
PMID: 31961683
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SIMUFLEX: Algorithms and Tools for Simulation of the Conformation and Dynamics of Flexible Molecules and Nanoparticles in Dilute Solution.
de la Torre JG, Hernández Cifre JG, Ortega Á, Schmidt RR, Fernandes MX, Pérez Sánchez HE, Pamies R.
de la Torre JG, et al. Among authors: schmidt rr.
J Chem Theory Comput. 2009 Oct 13;5(10):2606-18. doi: 10.1021/ct900269n.
J Chem Theory Comput. 2009.
PMID: 26631776
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Single-molecule behavior of asymmetric thermoresponsive amphiphilic copolymers in dilute solution.
Rodríguez Schmidt R, Pamies R, Kjøniksen AL, Zhu K, Hernández Cifre JG, Nyström B, García de la Torre J.
Rodríguez Schmidt R, et al.
J Phys Chem B. 2010 Jul 15;114(27):8887-93. doi: 10.1021/jp102442q.
J Phys Chem B. 2010.
PMID: 20565111
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Comparison of Brownian dynamics algorithms with hydrodynamic interaction.
Schmidt RR, Cifre JG, de la Torre JG.
Schmidt RR, et al.
J Chem Phys. 2011 Aug 28;135(8):084116. doi: 10.1063/1.3626868.
J Chem Phys. 2011.
PMID: 21895168
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A multiscale scheme for the simulation of conformational and solution properties of different dendrimer molecules.
Del Río Echenique G, Rodríguez Schmidt R, Freire JJ, Hernández Cifre JG, García de la Torre J.
Del Río Echenique G, et al. Among authors: rodriguez schmidt r.
J Am Chem Soc. 2009 Jun 24;131(24):8548-56. doi: 10.1021/ja901275d.
J Am Chem Soc. 2009.
PMID: 19476358
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