List of works - Juan Torras

Comment on "A minimal implementation of the AMBER-GAUSSIAN interface for ab initio QM/MM-MD simulation"

scientific article published on 08 May 2012

Conformational Aspects and Molecular Dynamics Simulations of Peptide Hybrid Materials

Copper Coordination Study in a Metal-Induced Chiral Polythiophene Aggregate

Determination of new Cu+, Cu2+, and Zn2+ Lennard-Jones ion parameters in acetonitrile

scientific article published on 28 August 2013

Doped photo-crosslinked polyesteramide hydrogels as solid electrolytes for supercapacitors

scientific article published on 12 August 2020

Examining the compatibility of collagen and a polythiophene derivative for the preparation of bioactive platforms

scholarly article in RSC Advances, vol. 5 no. 12, 2015

How Organophosphonic Acid Promotes Silane Deposition onto Aluminum Surface: A Detailed Investigation on Adsorption Mechanism

scholarly article by Juan Torras et al published 29 July 2014 in Journal of Physical Chemistry C

Influence of the surrounding environment in re-naturalized β-barrel membrane proteins

scientific article published on 2 January 2018

Ion–Ion Repulsions and Charge-Shielding Effects Dominate the Permeation Mechanism through the OmpF Porin Channel

scientific article published on 18 December 2018

Massive quantum regions for simulations on bio-nanomaterials: synthetic ferritin nanocages.

scientific article published on 8 February 2018

Mechanistic Insights into the Reaction of Chlorination of Tryptophan Catalyzed by Tryptophan 7-Halogenase

scientific article published on 12 December 2017

Molecular Dynamics Study on the Apo- and Holo-forms of 5-Lipoxygenase

scientific article published on 08 August 2017

Multiple active zones in hybrid QM/MM molecular dynamics simulations for large biomolecular systems

scientific article published on 01 April 2015

Multiscale Treatment for the Molecular Mechanism of a Diels-Alder Reaction in Solution: A QM/MM-MD Study

scientific article published on 26 September 2016

PUPIL: A Software Integration System for Multi-Scale QM/MM-MD Simulations and Its Application to Biomolecular Systems.

scientific article

Paradigm Shift for Preparing Versatile M2+-Free Gels from Unmodified Sodium Alginate.

scientific article

Polyaniline Emeraldine Salt in the Amorphous Solid State: Polaron versus Bipolaron

scientific article published on 19 September 2014

Self-Assembly of Lipopeptides Containing Short Peptide Fragments Derived from the Gastrointestinal Hormone PYY3–36: From Micelles to Amyloid Fibrils

scientific article published on 14 January 2019

Self-assembly of diphenylalanine with preclick components as capping groups.

scientific article published on 29 September 2017

Solvent effects on the properties of hyperbranched polythiophenes

scientific article published on 19 August 2016

Solvent-induced conformational flexibility of a bicyclic proline analogue: Octahydroindole-2-carboxylic acid

scientific article published on 01 March 2014

Tethering of the IgG1 Antibody to Amorphous Silica for Immunosensor Development: A Molecular Dynamics Study

scientific article published on 15 October 2020

The Conformation and Aggregation of Proline-Rich Surfactant-Like Peptides

scientific article published on 22 January 2018

List of works by Juan Torras