Publications
2023
The <i>CCP4</i> suite: integrative software for macromolecular crystallography
Agirre, J., Atanasova, M., Bagdonas, H., Ballard, C. B., Basle, A., Beilsten-Edmands, J., . . . Yamashita, K. (2023). The <i>CCP4</i> suite: integrative software for macromolecular crystallography. ACTA CRYSTALLOGRAPHICA SECTION D-STRUCTURAL BIOLOGY, 79, 449-461. doi:10.1107/S2059798323003595
2021
Local structuring of diketopyrrolopyrrole (DPP)-based oligomers from molecular dynamics simulations
Reisjalali, M., Burgos-Marmol, J. J., Manurung, R., & Troisi, A. (2021). Local structuring of diketopyrrolopyrrole (DPP)-based oligomers from molecular dynamics simulations. PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 23(35), 19693-19707. doi:10.1039/d1cp03257g
PISACov: Expanding jsPISA with evolutionary covariance data to better determine protein quaternary state from a crystal structure
Burgos-Marmol, J. J., Keegan, R. M., Krissinel, E., & Rigden, D. J. (2021). PISACov: Expanding jsPISA with evolutionary covariance data to better determine protein quaternary state from a crystal structure. In ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES Vol. 77 (pp. C693). Retrieved from https://www.webofscience.com/
Molecular Dynamics of Janus Nanodimers Dispersed in Lamellar Phases of a Block Copolymer
Burgos-Marmol, J. J., & Patti, A. (2021). Molecular Dynamics of Janus Nanodimers Dispersed in Lamellar Phases of a Block Copolymer. POLYMERS, 13(9). doi:10.3390/polym13091524
ConPlot: web-based application for the visualization of protein contact maps integrated with other data
Rodriguez, F. S., Mesdaghi, S., Simpkin, A. J., Burgos-Marmol, J. J., Murphy, D. L., Uski, V., . . . Rigden, D. J. (2021). ConPlot: web-based application for the visualization of protein contact maps integrated with other data. BIOINFORMATICS, 37(17), 2763-2765. doi:10.1093/bioinformatics/btab049
In silico prediction of structure and function for a large family of transmembrane proteins that includes human Tmem41b.
Mesdaghi, S., Murphy, D. L., Sánchez Rodríguez, F., Burgos-Mármol, J. J., & Rigden, D. J. (2020). In silico prediction of structure and function for a large family of transmembrane proteins that includes human Tmem41b.. F1000Research, 9, 1395. doi:10.12688/f1000research.27676.2
2020
In silico prediction of structure and function for a large family of transmembrane proteins that includes human Tmem41b
Local Structuring of Diketopyrrolopyrrole (DPP)-Based Semiconducting Polymers Using Molecular Dynamics Simulations
2017
Modeling the Effect of Polymer Chain Stiffness on the Behavior of Polymer Nanocomposites
Burgos-Marmol, J. J., Alvarez-Machancoses, O., & Patti, A. (2017). Modeling the Effect of Polymer Chain Stiffness on the Behavior of Polymer Nanocomposites. JOURNAL OF PHYSICAL CHEMISTRY B, 121(25), 6245-6256. doi:10.1021/acs.jpcb.7b02502
Unveiling the impact of nanoparticle size dispersity on the behavior of polymer nanocomposites
Burgos-Marmol, J. J., & Patti, A. (2017). Unveiling the impact of nanoparticle size dispersity on the behavior of polymer nanocomposites. POLYMER, 113, 92-104. doi:10.1016/j.polymer.2017.01.081
2016
Effective short-range Coulomb correction to model the aggregation behavior of ionic surfactants
Burgos-Marmol, J. J., Solans, C., & Patti, A. (2016). Effective short-range Coulomb correction to model the aggregation behavior of ionic surfactants. JOURNAL OF CHEMICAL PHYSICS, 144(23). doi:10.1063/1.4954063