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List of works by Javier Ramos

A Curtin-Hammett mechanism for the copolymerization of ethylene and methyl acrylate monomer using a PymNox nickel catalyst as revealed by DFT computational studies

scientific article published on 04 May 2011

A new insight into the conformation and melt dynamics of hydrogenated polybutadiene as revealed by computer simulations.

scientific article

Assessment of the intrinsic conformational preferences of dipeptide amino acids in aqueous solution by combined umbrella sampling/MBAR statistics. A comparison with experimental results.

scientific article published on 20 December 2011

Bacteriocin AS-48 binding to model membranes and pore formation as revealed by coarse-grained simulations.

scientific article

Conformational analysis of short polar side-chain amino-acids through umbrella sampling and DFT calculations

scientific article published on 26 October 2016

Conformational flexibility of the ErbB2 ectodomain and trastuzumab antibody complex as revealed by molecular dynamics and principal component analysis.

scientific article published on 17 November 2012

Dissimilar interaction of CB1/CB2 with lipid bilayers as revealed by molecular dynamics simulation ⬇️

scientific article published on December 21, 2010

Entanglement Relaxation Time in Polyethylene: Simulation versus Experimental Data

scientific article published in April 2008

Ethylene-styrene copolymerization with constrained geometry catalysts: a density functional study

scientific article published in February 2005

Exploring the dynamics and interaction of a full ErbB2 receptor and Trastuzumab-Fab antibody in a lipid bilayer model using Martini coarse-grained force field

scientific article published on 17 August 2014

Isolobal Zwitterionic Niobium and Tantalum Imido and Zirconium Monocyclopentadienyl Complexes: Theoretical and Methyl Methacrylate Polymerization Studies

scholarly article by Rocío Arteaga-Müller et al published April 2008 in Organometallics

Molecular and hydrodynamic properties of human epidermal growth factor receptor HER2 extracellular domain and its homodimer: Experiments and multi-scale simulations

scientific article published on 19 June 2017

Molecular modeling of imidazolium-based [Tf2N-] ionic liquids: microscopic structure, thermodynamic and dynamic properties, and segmental dynamics.

scientific article

Monte Carlo Simulation of Short Chain Branched Polyolefins in the Molten State

scientific article published in December 2007

Monte Carlo Simulation of Short Chain Branched Polyolefins: Structure and Properties

scientific article published in October 2012

Monte Carlo simulations of structure and entanglements in polymer melts

scientific article published on 28 July 2014

Simulation of homology models for the extracellular domains (ECD) of ErbB3, ErbB4 and the ErbB2–ErbB3 complex in their active conformations ⬇️

scientific article published on October 23, 2012

Structure and entanglements in short chain branched polyolefin melts

scientific article published in 2013

Thermophysical Properties of Homologous Tetracyanoborate-Based Ionic Liquids Using Experiments and Molecular Dynamics Simulations.

scientific article published on 7 April 2017

Thermophysical properties of the ionic liquids [EMIM][B(CN)4] and [HMIM][B(CN)4].

scientific article

Water-Mediated Conformations of the Alanine Dipeptide as Revealed by Distributed Umbrella Sampling Simulations, Quantum Mechanics Based Calculations, and Experimental Data ⬇️

scientific article published on April 6, 2011

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