Lista de obras - Domenico Alberga - Dominio Público Uruguay

A New Approach for Drug Target and Bioactivity Prediction: The Multifingerprint Similarity Search Algorithm (MuSSeL)

artículo científico publicado en 2018

A new gating site in human aquaporin-4: Insights from molecular dynamics simulations

article

A rational approach to elucidate human monoamine oxidase molecular selectivity

artículo científico publicado en 2017

Accelerating Drug Discovery by Early Protein Drug Target Prediction Based on a Multi-Fingerprint Similarity Search

artículo científico publicado en 2019

Automated identification of structurally heterogeneous and patentable antiproliferative hits as potential tubulin inhibitors.

artículo científico publicado en 2018

CATMoS: Collaborative Acute Toxicity Modeling Suite

artículo científico publicado en 2021

Challenging AQP4 druggability for NMO-IgG antibody binding using molecular dynamics and molecular interaction fields

artículo científico publicado en 2015

ClC-1 mutations in myotonia congenita patients: insights into molecular gating mechanisms and genotype-phenotype correlation.

artículo científico publicado en 2015

CoMPARA: Collaborative Modeling Project for Androgen Receptor Activity

scientific article published on 07 February 2020

Comparative molecular dynamics study of neuromyelitis optica-immunoglobulin G binding to aquaporin-4 extracellular domains

artículo científico publicado en 2017

Cover Feature: Persulfate Reaction in a Hair‐Bleaching Formula: Unveiling the Unconventional Reactivity of 1,13‐Diamino‐4,7,10‐Trioxatridecane (ChemistryOpen 5/2018).

artículo científico publicado en 2018

De novo drug design of targeted chemical libraries based on artificial intelligence and pair based multi-objective optimization

scientific article published on 26 August 2020

Design, Synthesis, and Biological Evaluation of Tetrahydro-β-carboline Derivatives as Selective Sub-Nanomolar Gelatinase Inhibitors

scholarly article by Giuseppe Felice Mangiatordi et al published 12 June 2018 in ChemMedChem

Design, synthesis, biological evaluation, NMR and DFT studies of structurally simplified trimethoxy benzamides as selective P-glycoprotein inhibitors: the role of molecular flatness

artículo científico publicado en 2016

Docking-based classification models for exploratory toxicology studies on high-quality estrogenic experimental data

artículo científico publicado en 2015

Effects of Annealing and Residual Solvents on Amorphous P3HT and PBTTT Films

Effects of Substituents on Transport Properties of Molecular Materials for Organic Solar Cells: A Theoretical Investigation

Effects of different self-assembled monolayers on thin-film morphology: a combined DFT/MD simulation protocol

artículo científico publicado en 2015

Human Aquaporin-4 and Molecular Modeling: Historical Perspective and View to the Future

artículo científico publicado en 2016

Identification of a point mutation impairing the binding between aquaporin-4 and neuromyelitis optica autoantibodies

artículo científico publicado en 2014

Mind the Gap! A Journey towards Computational Toxicology

artículo científico publicado en 2016

Molecular Docking for Predictive Toxicology

artículo científico publicado en 2018

Morphological and charge transport properties of amorphous and crystalline P3HT and PBTTT: insights from theory.

artículo científico publicado en 2015

Multidisciplinary study of a new ClC-1 mutation causing myotonia congenita: a paradigm to understand and treat ion channelopathies

artículo científico publicado en 2016

Multitarget Drug Design for Neurodegenerative Diseases

article by Marco Catto et al published 2018 in Methods in pharmacology and toxicology

Novel chemotypes targeting tubulin at the colchicine binding site and unbiasing P-glycoprotein

artículo científico publicado en 2017

Organic bioelectronics probing conformational changes in surface confined proteins

artículo científico publicado en 2016

Permeability Coefficients of Lipophilic Compounds Estimated by Computer Simulations.

artículo científico publicado en 2016

Persulfate Reaction in a Hair-Bleaching Formula: Unveiling the Unconventional Reactivity of 1,13-Diamino-4,7,10-Trioxatridecane.

artículo científico publicado en 2018

Prediction of acute oral systemic toxicity using a multi-fingerprint similarity approach

article

Predictive Structure-Based Toxicology Approaches To Assess the Androgenic Potential of Chemicals.

artículo científico publicado en 2017

Theoretical Investigation of Hole Transporter Materials for Energy Devices

Trimethoxybenzanilide-based P-glycoprotein modulators: an interesting case of lipophilicity tuning by intramolecular hydrogen bonding

artículo científico publicado en 2014

Understanding complexity of physiology by combined molecular simulations and experiments: anion channels as a proof of concept

artículo científico publicado en 2016

Lista de obras de Domenico Alberga

A New Approach for Drug Target and Bioactivity Prediction: The Multifingerprint Similarity Search Algorithm (MuSSeL)

A new gating site in human aquaporin-4: Insights from molecular dynamics simulations

A rational approach to elucidate human monoamine oxidase molecular selectivity

Accelerating Drug Discovery by Early Protein Drug Target Prediction Based on a Multi-Fingerprint Similarity Search

Automated identification of structurally heterogeneous and patentable antiproliferative hits as potential tubulin inhibitors.

CATMoS: Collaborative Acute Toxicity Modeling Suite

Challenging AQP4 druggability for NMO-IgG antibody binding using molecular dynamics and molecular interaction fields

ClC-1 mutations in myotonia congenita patients: insights into molecular gating mechanisms and genotype-phenotype correlation.

CoMPARA: Collaborative Modeling Project for Androgen Receptor Activity

Comparative molecular dynamics study of neuromyelitis optica-immunoglobulin G binding to aquaporin-4 extracellular domains

Cover Feature: Persulfate Reaction in a Hair‐Bleaching Formula: Unveiling the Unconventional Reactivity of 1,13‐Diamino‐4,7,10‐Trioxatridecane (ChemistryOpen 5/2018).

De novo drug design of targeted chemical libraries based on artificial intelligence and pair based multi-objective optimization

Design, Synthesis, and Biological Evaluation of Tetrahydro-β-carboline Derivatives as Selective Sub-Nanomolar Gelatinase Inhibitors

Design, synthesis, biological evaluation, NMR and DFT studies of structurally simplified trimethoxy benzamides as selective P-glycoprotein inhibitors: the role of molecular flatness

Docking-based classification models for exploratory toxicology studies on high-quality estrogenic experimental data

Effects of Annealing and Residual Solvents on Amorphous P3HT and PBTTT Films

Effects of Substituents on Transport Properties of Molecular Materials for Organic Solar Cells: A Theoretical Investigation

Effects of different self-assembled monolayers on thin-film morphology: a combined DFT/MD simulation protocol

Human Aquaporin-4 and Molecular Modeling: Historical Perspective and View to the Future

Identification of a point mutation impairing the binding between aquaporin-4 and neuromyelitis optica autoantibodies

Mind the Gap! A Journey towards Computational Toxicology

Molecular Docking for Predictive Toxicology

Morphological and charge transport properties of amorphous and crystalline P3HT and PBTTT: insights from theory.

Multidisciplinary study of a new ClC-1 mutation causing myotonia congenita: a paradigm to understand and treat ion channelopathies

Multitarget Drug Design for Neurodegenerative Diseases

Novel chemotypes targeting tubulin at the colchicine binding site and unbiasing P-glycoprotein

Organic bioelectronics probing conformational changes in surface confined proteins

Permeability Coefficients of Lipophilic Compounds Estimated by Computer Simulations.

Persulfate Reaction in a Hair-Bleaching Formula: Unveiling the Unconventional Reactivity of 1,13-Diamino-4,7,10-Trioxatridecane.

Prediction of acute oral systemic toxicity using a multi-fingerprint similarity approach

Predictive Structure-Based Toxicology Approaches To Assess the Androgenic Potential of Chemicals.

Theoretical Investigation of Hole Transporter Materials for Energy Devices

Trimethoxybenzanilide-based P-glycoprotein modulators: an interesting case of lipophilicity tuning by intramolecular hydrogen bonding

Understanding complexity of physiology by combined molecular simulations and experiments: anion channels as a proof of concept