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List of works by Domenico Alberga

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

scientific article published on 14 December 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

scientific article published on 7 February 2017

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

scientific article published on 14 June 2019

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

scientific article published on 6 April 2018

CATMoS: Collaborative Acute Toxicity Modeling Suite

scientific article published in April 2021

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

scientific article published on 31 March 2015

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

scientific article published on 12 June 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

scientific article published on 3 May 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).

scientific article

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

scientific article published on 22 June 2016

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

scientific article

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

scientific article published on 14 September 2015

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

scientific article

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

scientific article published on 19 September 2014

Mind the Gap! A Journey towards Computational Toxicology

scientific article published on 13 April 2016

Molecular Docking for Predictive Toxicology

scientific article published on 01 January 2018

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

scientific article published in July 2015

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

scientific article published on 20 June 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

scientific article published on 21 July 2017

Organic bioelectronics probing conformational changes in surface confined proteins

scientific article published on 17 June 2016

Permeability Coefficients of Lipophilic Compounds Estimated by Computer Simulations

scientific article published on 20 July 2016

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

scientific article published on 25 March 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.

scientific article

Theoretical Investigation of Hole Transporter Materials for Energy Devices

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

scientific article

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

scientific article published in June 2016

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