List of works - Luis G. Dias

A mixed culture of endophytic fungi increases production of antifungal polyketides

scientific article published on 11 October 2013

A simple method for the fast calculation of charge redistribution of solutes in an implicit solvent model

scientific article published in September 2002

An Explanation about the Use of (S)-Citronellal as a Chiral Derivatizing Agent (CDA) in 1H and 13C NMR for Sec-Butylamine, Methylbenzylamine, and Amphetamine: A Theoretical-Experimental Study

scientific article published on 03 August 2019

An overview of molecular dynamics simulations of oxidized lipid systems, with a comparison of ELBA and MARTINI force fields for coarse grained lipid simulations.

scientific article published on 5 April 2016

Citronellal assumes a folded conformation in solution due to dispersion interactions: A joint NMR-DFT analysis

scholarly article by Viviani Nardini et al published April 2018 in Journal of Molecular Structure

Development of constant-pH simulation methods in implicit solvent and applications in biomolecular systems.

scientific article published on 18 September 2017

Diketopiperazines produced by endophytic fungi found in association with two Asteraceae species.

scientific article published on 10 June 2010

Effect of counterions on the shape, hydration, and degree of order at the interface of cationic micelles: the triflate case.

scientific article

Electrostatics analysis of the mutational and pH effects of the N-terminal domain self-association of the major ampullate spidroin

scientific article published on 2 June 2016

In vitro enantioselective study of the toxicokinetic effects of chiral fungicide tebuconazole in human liver microsomes

scientific article published on 05 June 2019

Interaction of cyclic and linear Labaditin peptides with anionic and zwitterionic micelles.

scientific article published on 2 October 2014

Labaditin, a cyclic peptide with rich biotechnological potential: preliminary toxicological studies and structural changes in water and lipid membrane environment

scientific article published on 19 June 2010

Methylene Blue Location in (Hydroperoxized) Cardiolipin Monolayer: Implication in Membrane Photodegradation.

scientific article

Molecular Dynamics Simulations of Polymer-Ionic Liquid (1-Ethyl-3-methylimidazolium Tetracyanoborate) Ternary Electrolyte for Sodium and Potassium Ion Batteries

scientific article published on 30 October 2019

Molecular Dynamics Simulations of the Initial-State Predict Product Distributions of Dediazoniation of Aryldiazonium in Binary Solvents

scientific article published on 20 August 2015

Myclobutanil enantioselective risk assessment in humans through in vitro CYP450 reactions: Metabolism and inhibition studies

scientific article published on 13 April 2019

Osmotic Method for Calculating Surface Pressure of Monolayers in Molecular Dynamics Simulations

scientific article published on 07 March 2022

Parallel damage in mitochondria and lysosomes is an efficient way to photoinduce cell death

scientific article published on 25 September 2018

Parameterization of a coarse-grained model of cholesterol with point-dipole electrostatics

scientific article published on 26 September 2018

Predicting Hydration Free Energies of Neutral Compounds by a Parametrization of the Polarizable Continuum Model

scientific article published in December 2005

Screening of the Role of the Chemical Structure in the Electrochemical Stability Window of Ionic Liquids: DFT Calculations Combined with Data Mining

scientific article published in 2022

Self-Assembly of Phosphocholine Derivatives Using the ELBA Coarse-Grained Model: Micelles, Bicelles, and Reverse Micelles

scientific article published on 26 November 2019

Single-beam interface thermal lensing.

scientific article

Synergistic long-range effects of mutations underlie aggregation propensities of amylin analogues

scientific article published on 19 August 2019

Synthesis and spectroscopic properties of luminescent tantalum(v)-β-diketonate complexes and their use as optical sensors and the preparation of nanostructured Ta2O5.

scientific article published in February 2015

List of works by Luis G. Dias

A mixed culture of endophytic fungi increases production of antifungal polyketides

A simple method for the fast calculation of charge redistribution of solutes in an implicit solvent model

An Explanation about the Use of (S)-Citronellal as a Chiral Derivatizing Agent (CDA) in 1H and 13C NMR for Sec-Butylamine, Methylbenzylamine, and Amphetamine: A Theoretical-Experimental Study

An overview of molecular dynamics simulations of oxidized lipid systems, with a comparison of ELBA and MARTINI force fields for coarse grained lipid simulations.

Citronellal assumes a folded conformation in solution due to dispersion interactions: A joint NMR-DFT analysis

Development of constant-pH simulation methods in implicit solvent and applications in biomolecular systems.

Diketopiperazines produced by endophytic fungi found in association with two Asteraceae species.

Effect of counterions on the shape, hydration, and degree of order at the interface of cationic micelles: the triflate case.

Electrostatics analysis of the mutational and pH effects of the N-terminal domain self-association of the major ampullate spidroin

In vitro enantioselective study of the toxicokinetic effects of chiral fungicide tebuconazole in human liver microsomes

Interaction of cyclic and linear Labaditin peptides with anionic and zwitterionic micelles.

Labaditin, a cyclic peptide with rich biotechnological potential: preliminary toxicological studies and structural changes in water and lipid membrane environment

Methylene Blue Location in (Hydroperoxized) Cardiolipin Monolayer: Implication in Membrane Photodegradation.

Molecular Dynamics Simulations of Polymer-Ionic Liquid (1-Ethyl-3-methylimidazolium Tetracyanoborate) Ternary Electrolyte for Sodium and Potassium Ion Batteries

Molecular Dynamics Simulations of the Initial-State Predict Product Distributions of Dediazoniation of Aryldiazonium in Binary Solvents

Myclobutanil enantioselective risk assessment in humans through in vitro CYP450 reactions: Metabolism and inhibition studies

Osmotic Method for Calculating Surface Pressure of Monolayers in Molecular Dynamics Simulations

Parallel damage in mitochondria and lysosomes is an efficient way to photoinduce cell death

Parameterization of a coarse-grained model of cholesterol with point-dipole electrostatics

Predicting Hydration Free Energies of Neutral Compounds by a Parametrization of the Polarizable Continuum Model

Screening of the Role of the Chemical Structure in the Electrochemical Stability Window of Ionic Liquids: DFT Calculations Combined with Data Mining

Self-Assembly of Phosphocholine Derivatives Using the ELBA Coarse-Grained Model: Micelles, Bicelles, and Reverse Micelles

Single-beam interface thermal lensing.

Synergistic long-range effects of mutations underlie aggregation propensities of amylin analogues

Synthesis and spectroscopic properties of luminescent tantalum(v)-β-diketonate complexes and their use as optical sensors and the preparation of nanostructured Ta2O5.