List of works - Daniela Trisciuzzi

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

scientific article published on 14 December 2018

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

Analysis of solvent-exposed and buried co-crystallized ligands: a case study to support the design of novel protein-protein interaction inhibitors

scientific article published on 22 November 2018

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

scientific article published on 6 April 2018

Bcr-Abl Allosteric Inhibitors: Where We Are and Where We Are Going to

scientific article published on 14 September 2020

CATMoS: Collaborative Acute Toxicity Modeling Suite

scientific article published in April 2021

CERAPP: Collaborative Estrogen Receptor Activity Prediction Project

scientific article published in July 2016

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

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

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

scientific article

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

scientific article

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

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

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

List of works by Daniela Trisciuzzi

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

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

Analysis of solvent-exposed and buried co-crystallized ligands: a case study to support the design of novel protein-protein interaction inhibitors

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

Bcr-Abl Allosteric Inhibitors: Where We Are and Where We Are Going to

CATMoS: Collaborative Acute Toxicity Modeling Suite

CERAPP: Collaborative Estrogen Receptor Activity Prediction Project

CoMPARA: Collaborative Modeling Project for Androgen Receptor Activity

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

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

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

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

Mind the Gap! A Journey towards Computational Toxicology

Molecular Docking for Predictive Toxicology

Multitarget Drug Design for Neurodegenerative Diseases

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

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

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