Researcher Details |

Joaquin Klug

Joaquin Klug is an assistant professor in computational chemistry in the School of Chemical Sciences at Dublin City University. His research interest is on modelling the interaction of molecules and nanomaterial with cell membranes, aiming to get a fundamental understanding of the process to improve drug delivery systems. The computational method used for these studies ranges from ab initio calculation up to atomistic and coarse-grained molecular dynamics simulation with enhance-sampling techniques.

Joaquin graduated with a first-class honours degree in Chemistry from the Universidad Nacional de Cordoba Argentina in 2008. He then completed a PhD in Chemistry also at the Universidad Nacional de Cordoba in 2014 before gaining a postdoctoral position at the Universidad Nacional de Cuyo, Mendoza, Argentina. He went on to complete a secondment at Queen's University, Belfast (2016-2017) under the Marie Curie Research Innovation and Staff Exchange (RISE) fund before taking up a postdoctoral researcher position at the same institution (2017-2018). In February 2020, he did a postdoctoral position at the School of Chemical Sciences DCU. Followed up by a temporary contract as an assistant professor in Computational Chemistry starting in January 2021 in the same School.

Peer Reviewed Journal

	Year	Publication
	2018	Klug J;Triguero C;Del Pópolo MG;Tribello GA; (2018) 'Using Intrinsic Surfaces To Calculate the Free-Energy Change When Nanoparticles Adsorb on Membranes'. Journal of Physical Chemistry B, 122 (24).
	2018	Via MA;Klug J;Wilke N;Mayorga LS;Del Pópolo MG; (2018) 'The interfacial electrostatic potential modulates the insertion of cell-penetrating peptides into lipid bilayers'. Physical Chemistry Chemical Physics, 20 (7).
	2017	J Klug, D Masone, MG Del Pópolo (2017) 'Molecular-level insight into the binding of arginine to a zwitterionic Langmuir monolayer'. RSC Advances, 7 (49):30862-30869. Link
	2017	Klug J;Torresan MF;Lurgo F;Borioli G;Lacconi GI; (2017) 'A spectroscopic sensing platform for MARCKS protein monolayers'. Journal of Colloid and Interface Science, 508 .
	2013	J Klug, LA Pérez, EA Coronado, GI Lacconi (2013) 'Chemical and electrochemical oxidation of silicon surfaces functionalized with APTES: The role of surface roughness in the AuNPs anchoring kinetics'. Journal of Physical Chemistry C, 117 (21):11317-11327. Link

Research Interests

My research interest is on modelling the interaction of molecules and nanomaterial with cell membranes, aiming to get a fundamental understanding of the process to improve drug delivery systems. The computational method used for these studies ranges from ab initio calculation up to atomistic and coarse-grained molecular dynamics simulation with enhance-sampling techniques.