Lista de obras - Paulo A Netz - Dominio Público Uruguay

Adaptive resolution simulation of oligonucleotides

artículo científico publicado en 2016

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

artículo científico publicado en 2014

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

artículo científico publicado en 2016

Colloidal Dispersion Stability: Kinetic Modeling of Agglomeration and Aggregation

artículo científico publicado en 2014

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

artículo científico publicado en 2018

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

artículo científico publicado en 2009

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

artículo científico publicado en 2019

Effects of stereochemistry and copolymerization on the LCST of PNIPAm.

artículo científico publicado en 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

artículo científico publicado en 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

artículo científico publicado en 2010

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

artículo científico publicado en 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 ⬇️

artículo científico publicado el 20 de octubre de 2011

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

artículo científico publicado en 2010

Organocatalytic Imidazolium Ionic Liquids H/D Exchange Catalysts

artículo científico publicado en 2017

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

artículo científico publicado en 2018

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

artículo científico publicado en 2017

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

artículo científico publicado en 2018

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

artículo científico publicado en 2019

Stability of a Split Streptomycin Binding Aptamer

artículo científico publicado en 2016

Structural anomalies for a three dimensional isotropic core-softened potential

artículo científico publicado en 2006

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

artículo científico publicado en 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

artículo científico publicado en 2020

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

artículo científico publicado en 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

artículo científico publicado en 2008

Welche Bedeutung haben Theoretische Konzepte in der Chemie?

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

artículo científico publicado en 2015

Lista de obras de Paulo A Netz

Adaptive resolution simulation of oligonucleotides

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

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

Colloidal Dispersion Stability: Kinetic Modeling of Agglomeration and Aggregation

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

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

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

Effects of stereochemistry and copolymerization on the LCST of PNIPAm.

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

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

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

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

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

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

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 ⬇️

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

Organocatalytic Imidazolium Ionic Liquids H/D Exchange Catalysts

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

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

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

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

Stability of a Split Streptomycin Binding Aptamer

Structural anomalies for a three dimensional isotropic core-softened potential

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

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

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

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

Waterlike hierarchy of anomalies in a continuous spherical shouldered potential

Welche Bedeutung haben Theoretische Konzepte in der Chemie?

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