Lista de obras - Miguel Ángel Cabrera-Pérez

3D-MEDNEs: an alternative "in silico" technique for chemical research in toxicology. 1. prediction of chemically induced agranulocytosis

scientific article published on 01 October 2003

A topological substructural approach for the prediction of P-glycoprotein substrates

artículo científico publicado en 2006

A topological-substructural molecular design (TOPS-MODE) approach to determining pharmacokinetics and pharmacological properties of 6-fluoroquinolone derivatives.

artículo científico publicado en 2003

Biowaiver or Bioequivalence: Ambiguity in Sildenafil Citrate BCS Classification

artículo científico publicado en 2018

Combining molecular docking and QSAR studies for modelling the antigyrase activity of cyclothialidine derivatives

artículo científico publicado en 2011

Computational modeling of human oral bioavailability: what will be next?

artículo científico publicado en 2018

Exploring different strategies for imbalanced ADME data problem: case study on Caco-2 permeability modeling.

artículo científico publicado en 2015

Exploring the conformational changes of the ATP binding site of gyrase B from Escherichia coli complexed with different established inhibitors by using molecular dynamics simulation: protein-ligand interactions in the light of the alanine scanning a

artículo científico publicado en 2010

FDA-approved drugs selected using virtual screening bind specifically to G-quadruplex DNA.

artículo científico publicado en 2013

GA(M)E-QSAR: a novel, fully automatic genetic-algorithm-(meta)-ensembles approach for binary classification in ligand-based drug design.

artículo científico publicado en 2012

In Silico Prediction of Caco-2 Cell Permeability by a Classification QSAR Approach

artículo científico publicado en 2011

In silico prediction of central nervous system activity of compounds. Identification of potential pharmacophores by the TOPS-MODE approach

scientific article published on 01 November 2004

Integrating theoretical and experimental permeability estimations for provisional biopharmaceutical classification: Application to the WHO essential medicines

scientific article published on 01 July 2018

Markovian chemicals "in silico" design (MARCH-INSIDE), a promising approach for computer-aided molecular design I: discovery of anticancer compounds.

artículo científico publicado en 2003

Molecular dynamics and docking simulations as a proof of high flexibility in E. coli FabH and its relevance for accurate inhibitor modeling

scientific article published on 23 April 2011

Policy of Multisource Drug Products in Latin America: Opportunities and Challenges on the Application of Bioequivalence In Vitro Assays

scientific article published on 29 June 2020

Prediction of telomerase inhibitory activity for acridinic derivatives based on chemical structure

artículo científico publicado en 2009

Provisional Classification and in Silico Study of Biopharmaceutical System Based on Caco-2 Cell Permeability and Dose Number

artículo científico publicado en 2013

Quantitative structure-carcinogenicity relationship for detecting structural alerts in nitroso compounds: species, rat; sex, female; route of administration, gavage.

artículo científico publicado en 2008

TOPS-MODE approach for the prediction of blood-brain barrier permeation

artículo científico publicado en 2004

TOPS-MODE based QSARs derived from heterogeneous series of compounds. Applications to the design of new herbicides

artículo científico publicado en 2003

The Use of Rule-Based and QSPR Approaches in ADME Profiling: A Case Study on Caco-2 Permeability.

artículo científico publicado en 2013

Toward the computer-aided discovery of FabH inhibitors. Do predictive QSAR models ensure high quality virtual screening performance?

artículo científico publicado en 2014

Unified Markov thermodynamics based on stochastic forms to classify drugs considering molecular structure, partition system, and biological species: distribution of the antimicrobial G1 on rat tissues

artículo científico publicado en 2005

Lista de obras de Miguel Ángel Cabrera-Pérez

3D-MEDNEs: an alternative "in silico" technique for chemical research in toxicology. 1. prediction of chemically induced agranulocytosis

A topological substructural approach for the prediction of P-glycoprotein substrates

A topological-substructural molecular design (TOPS-MODE) approach to determining pharmacokinetics and pharmacological properties of 6-fluoroquinolone derivatives.

Biowaiver or Bioequivalence: Ambiguity in Sildenafil Citrate BCS Classification

Combining molecular docking and QSAR studies for modelling the antigyrase activity of cyclothialidine derivatives

Computational modeling of human oral bioavailability: what will be next?

Exploring different strategies for imbalanced ADME data problem: case study on Caco-2 permeability modeling.

Exploring the conformational changes of the ATP binding site of gyrase B from Escherichia coli complexed with different established inhibitors by using molecular dynamics simulation: protein-ligand interactions in the light of the alanine scanning a

FDA-approved drugs selected using virtual screening bind specifically to G-quadruplex DNA.

GA(M)E-QSAR: a novel, fully automatic genetic-algorithm-(meta)-ensembles approach for binary classification in ligand-based drug design.

In Silico Prediction of Caco-2 Cell Permeability by a Classification QSAR Approach

In silico prediction of central nervous system activity of compounds. Identification of potential pharmacophores by the TOPS-MODE approach

Integrating theoretical and experimental permeability estimations for provisional biopharmaceutical classification: Application to the WHO essential medicines

Markovian chemicals "in silico" design (MARCH-INSIDE), a promising approach for computer-aided molecular design I: discovery of anticancer compounds.

Molecular dynamics and docking simulations as a proof of high flexibility in E. coli FabH and its relevance for accurate inhibitor modeling

Policy of Multisource Drug Products in Latin America: Opportunities and Challenges on the Application of Bioequivalence In Vitro Assays

Prediction of telomerase inhibitory activity for acridinic derivatives based on chemical structure

Provisional Classification and in Silico Study of Biopharmaceutical System Based on Caco-2 Cell Permeability and Dose Number

Quantitative structure-carcinogenicity relationship for detecting structural alerts in nitroso compounds: species, rat; sex, female; route of administration, gavage.

TOPS-MODE approach for the prediction of blood-brain barrier permeation

TOPS-MODE based QSARs derived from heterogeneous series of compounds. Applications to the design of new herbicides

The Use of Rule-Based and QSPR Approaches in ADME Profiling: A Case Study on Caco-2 Permeability.

Toward the computer-aided discovery of FabH inhibitors. Do predictive QSAR models ensure high quality virtual screening performance?

Unified Markov thermodynamics based on stochastic forms to classify drugs considering molecular structure, partition system, and biological species: distribution of the antimicrobial G1 on rat tissues