Local structuring of diketopyrrolopyrrole (DPP)-based oligomers from molecular dynamics simulations

Maryam Reisjalali , J Javier Burgos-Marmol , Rex Manurung , Alessandro Troisi
Physical Chemistry Chemical Physics 23 ( 35) 19693 -19707

6
2021
ConPlot: web-based application for the visualization of protein contact maps integrated with other data

Filomeno Sánchez Rodríguez , Shahram Mesdaghi , Adam J Simpkin , J Javier Burgos-Mármol
Bioinformatics 37 ( 17) 2763 -2765

7
2021
Modelling the micellization behavior of ionic surfactants

J Javier Burgos-Mármol , Conxita Solans , Alessandro Patti

2016
Molecular Dynamics of Janus Nanodimers Dispersed in Lamellar Phases of a Block Copolymer.

Alessandro Patti , J. Javier Burgos-Mármol
Polymers 13 ( 9) 1524

2021
Modeling the Effect of Polymer Chain Stiffness on the Behavior of Polymer Nanocomposites.

J. Javier Burgos-Mármol , Óscar Álvarez-Machancoses , Alessandro Patti
Journal of Physical Chemistry B 121 ( 25) 6245 -6256

12
2017
In silico prediction of structure and function for a large family of transmembrane proteins that includes human Tmem41b

Shahram Mesdaghi , David L. Murphy , Filomeno Sánchez Rodríguez , J. Javier Burgos-Mármol
F1000Research 9 1395 -1395

3
2020
Effective short-range Coulomb correction to model the aggregation behavior of ionic surfactants.

J. Javier Burgos-Mármol , Conxita Solans , Alessandro Patti
Journal of Chemical Physics 144 ( 23) 234904 -234904

5
2016
Unveiling the impact of nanoparticle size dispersity on the behavior of polymer nanocomposites

J. Javier Burgos-Mármol , Alessandro Patti
Polymer 113 92 -104

19
2017
PISACov: Expanding jsPISA with evolutionary covariance data to better determine protein quaternary state from a crystal structure

JJ Burgos-Mármol , RM Keegan , E Krissinel , DJ Rigden
Acta Crystallographica Section A: Foundations and Advances 77 C693 -C693

2021
MS11-1-3 Evolutionary covariance to assess the biological relevance of putative homo-oligomeric interfaces# MS11-1-3

JJ Burgos-Mármol , RM Keegan , E Krissinel , DJ Rigden
Foundations of Crystallography 78 e434 -e434

2022
Molecular simulation of polymer nanocomposites

Jose Javier Burgos Marmol
The University of Manchester (United Kingdom)

1
2017