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Você está em: Start > Publications > De novo computational design of compounds virtually displaying potent antibacterial activity and desirable in vitro ADMET profiles > View related publications

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Publications with the same authors as the De novo computational design of compounds virtually displaying potent antibacterial activity and desirable in vitro ADMET profiles publication

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Another Publication in an International Scientific Journal

Role of Ligand-Based Drug Design Methodologies toward the Discovery of New Anti-Alzheimer Agents: Futures Perspectives in Fragment-Based Ligand Design

Speck Planche, A (Author) (Other); Luan, F (Author) (Other); Cordeiro, MNDS (Author) (FCUP)

2012

Scientific classification Indexing

Review of Structures Containing Fullerene-C-60 for Delivery of Antibacterial Agents. Multitasking Model for Computational Assessment of Safety Profiles

Kleandrova, VV (Author) (Other); Luan, F (Author) (Other); Speck Planche, A (Author) (Other); Natalia N D S Cordeiro (Author) (FCUP)

2015

Multi-Target QSAR Approaches for Modeling Protein Inhibitors. Simultaneous Prediction of Activities Against Biomacromolecules Present in Gram-Negative Bacteria

Speck Planche, A (Author) (Other); Natalia N D S Cordeiro (Author) (FCUP)

2015

Multi-Target Drug Discovery in Medicinal Chemistry: Current Status and Future Perspectives

Speck Planche, A (Author) (Other); Natalia N D S Cordeiro (Author) (FCUP)

2015

In Silico Assessment of the Acute Toxicity of Chemicals: Recent Advances and New Model for Multitasking Prediction of Toxic Effect

Kleandrova, VV (Author) (Other); Luan, F (Author) (Other); Speck Planche, A (Author) (Other); Natalia N D S Cordeiro (Author) (FCUP)

2015

Enabling Virtual Screening of Potent and Safer Antimicrobial Agents Against Noma: mtk-QSBER Model for Simultaneous Prediction of Antibacterial Activities and ADMET Properties

Speck Planche, A (Author) (Other); Natalia N D S Cordeiro (Author) (FCUP)

2015

Discovery of Anti-Alzheimer Agents: Current Ligand-Based Approaches toward the Design of Acetylcholinesterase Inhibitors

Speck Planche, A (Author) (Other); Luan, F (Author) (Other); Cordeiro, MNDS (Author) (FCUP)

2012

Scientific classification Indexing

Chemoinformatics in Metabolomics, Modeling Chemical Reactivity and ADMET Processes Part 1

Gonzalez Diaz, H (Author) (Other); Speck Planche, A (Author) (Other); Natalia N D S Cordeiro (Author) (FCUP)

2014

Chemoinformatics in Metabolomics, From Molecular Mechanics, Dynamics, and Docking to Complex Metabolic Networks, Part 2

Gonzalez Diaz, H (Author) (Other); Speck Planche, A (Author) (Other); Natalia N D S Cordeiro (Author) (FCUP)

2014

Advanced In Silico Approaches for Drug Discovery: Mining Information from Multiple Biological and Chemical Data Through mtkQSBER and pt-QSPR Strategies

Speck Planche, A (Author) (Other); Natalia N D S Cordeiro (Author) (FCUP)

2017

Other Publications

Fragment-based in silico modeling of multi-target inhibitors against breast cancer-related proteins (vol 21, pg 511, 2017)

Speck Planche, A (Author) (Other); Natalia N D S Cordeiro (Author) (FCUP)

2017

Chapter or Part of a Book

QSAR-based studies of nanomaterials in the environment

Kleandrova, VV (Author) (Other); Luan, F (Author) (Other); Speck Planche, A (Author) (Other); Natalia N D S Cordeiro (Author) (FCUP)

2015

Multi-tasking chemoinformatic model for the efficient discovery of potent and safer anti-bladder cancer agents

Speck Planche, A (Author) (Other); Natalia N D S Cordeiro (Author) (FCUP)

2014

A general ANN-based multitasking model for the discovery of potent and safer antibacterial agents

Speck Planche, A (Author) (Other); Natalia N D S Cordeiro (Author) (FCUP)

2014

Article in International Scientific Journal

Virtual Screening of Alkaloids from Apocynaceae with Potential Antitrypanosomal Activity

Scotti, MT (Author) (Other); Speck Planche, A (Author) (Other); Tavares, JF (Author) (Other); da Silva, MS (Author) (Other); Natalia N D S Cordeiro (Author) (FCUP); Scotti, L (Author) (Other)

2015

Speeding up Early Drug Discovery in Antiviral Research: A Fragment Based in Silico Approach for the Design of Virtual Anti-Hepatitis C Leads

Speck Planche, A (Author) (Other); Natalia N D S Cordeiro (Author) (FCUP)

2017

Probing the toxicity of nanoparticles: a unified in silico machine learning model based on perturbation theory

Riccardo Concu (Author) (FCUP); Kleandrova, VV (Author) (Other); Speck Planche, A (Author) (Other); Natalia N D S Cordeiro (Author) (FCUP)

2017

Fragment-based in silico modeling of multi-target inhibitors against breast cancer-related proteins

Speck Planche, A (Author) (Other); Natalia N D S Cordeiro (Author) (FCUP)

2017

First Multitarget Chemo-Bioinformatic Model To Enable the Discovery of Antibacterial Peptides against Multiple Gram-Positive Pathogens

Speck Planche, A (Author) (Other); Kleandrova, VV (Author) (Other); Ruso, JM (Author) (Other); Natalia N D S Cordeiro (Author) (FCUP)

2016

Enabling the Discovery and Virtual Screening of Potent and Safe Antimicrobial Peptides. Simultaneous Prediction of Antibacterial Activity and Cytotoxicity

Kleandrova, VV (Author) (Other); Ruso, JM (Author) (Other); Speck Planche, A (Author) (Other); Natalia N D S Cordeiro (Author) (FCUP)

2016

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