List of works - Paulo A Netz

Adaptive resolution simulation of oligonucleotides

scientific article published in December 2016

Beyond topoisomerase inhibition: antitumor 1,4-naphthoquinones as potential inhibitors of human monoamine oxidase

scientific article published on 01 April 2014

C-IBI: Targeting cumulative coordination within an iterative protocol to derive coarse-grained models of (multi-component) complex fluids

scientific article published in May 2016

Colloidal Dispersion Stability: Kinetic Modeling of Agglomeration and Aggregation

scientific article published in 2014

Conjugation with polyamines enhances the antitumor activity of naphthoquinones against human glioblastoma cells

scientific article published on 20 March 2018

Docking studies on DNA-ligand interactions: building and application of a protocol to identify the binding mode

scientific article published in August 2009

Dynamical aspects of supercooled TIP3P-water in the grooves of DNA

scientific article published on 01 June 2019

Effects of stereochemistry and copolymerization on the LCST of PNIPAm.

scientific article published on January 2017

Growth Mechanism of Gold Nanorods: the Effect of Tip-Surface Curvature As Revealed by Molecular Dynamics Simulations

scientific article published on 26 December 2019

In silico analysis of the interactions of certain flavonoids with the receptor-binding domain of 2019 novel coronavirus and cellular proteases and their pharmacokinetic properties

scientific article published on 28 October 2020

Liquid crystal phase and waterlike anomalies in a core-softened shoulder-dumbbells system

scientific article published on 01 April 2010

Molecular Dynamics of DNA: Comparison of Force Fields and Terminal Nucleotide Definitions

scientific article published on 01 August 2010

Molecular dynamics study of the LCST transition in aqueous poly(N-n-propylacrylamide).

scientific article published on 28 March 2018

Molecular evolution and structural analyses of the spike glycoprotein from Brazilian SARS-CoV-2 genomes: the impact of selected mutations

scientific article published in 2022

Molecular insights into human monoamine oxidase (MAO) inhibition by 1,4-naphthoquinone: Evidences for menadione (vitamin K3) acting as a competitive and reversible inhibitor of MAO ⬇️

scientific article published on October 20, 2011

On the selective detection of duplex deoxyribonucleic acids by 2,1,3-benzothiadiazole fluorophores

scientific article published on 5 March 2010

Organocatalytic Imidazolium Ionic Liquids H/D Exchange Catalysts

scientific article

Prion protein conversion triggered by acidic condition: a molecular dynamics study through different force fields

scientific article published on 20 September 2018

Ru-Catalyzed Estragole Isomerization under Homogeneous and Ionic Liquid Biphasic Conditions

scientific article published on 23 March 2017

SERCA plays a crucial role in the toxicity of a betulinic acid derivative with potential antimalarial activity.

scientific article published on 28 March 2018

Single molecule force spectroscopy of a streptomycin-binding RNA aptamer: An out-of-equilibrium molecular dynamics study

scientific article published on 01 November 2019

Stability of a Split Streptomycin Binding Aptamer

scientific article published on 24 June 2016

Structural anomalies for a three dimensional isotropic core-softened potential

scientific article published on 01 September 2006

Structure and mobility of water confined in AlPO4-54 nanotubes.

scientific article published in June 2017

Synthesis and enzymatic evaluation of the guanosine analogue 2-amino-6-mercapto-7-methylpurine ribonucleoside (MESG): insights into the phosphorolysis reaction mechanism based on the blueprint transition state: SN1 or S N2?

The role of osmolytes in the temperature-triggered conformational transition of poly(N-vinylcaprolactam): an experimental and computational study

scientific article published on 01 March 2020

Thermodynamic and dynamic anomalies for a three-dimensional isotropic core-softened potential

scientific article published in February 2006

Thermodynamic and dynamic anomalies for dumbbell molecules interacting with a repulsive ramplike potential

scientific article published on 07 June 2006

Waterlike hierarchy of anomalies in a continuous spherical shouldered potential

scientific article published on 01 February 2008

Welche Bedeutung haben Theoretische Konzepte in der Chemie?

Why does high pressure destroy co-non-solvency of PNIPAm in aqueous methanol? ⬇️

scientific article published in November 2015

List of works by Paulo A Netz