List of works - Miguel X Fernandes

A Comprehensive Evaluation of Sdox, a Promising H<sub>2</sub>S-Releasing Doxorubicin for the Treatment of Chemoresistant Tumors

scientific article published on 07 March 2022

Calculation of the solution properties of flexible macromolecules: methods and applications

scientific article published on 16 April 2003

Comparative QSAR analyses of competitive CYP2C9 inhibitors using three-dimensional molecular descriptors.

scientific article

Comparing ligand interactions with multiple receptors via serial docking.

scientific article published in November 2004

Conformation and dynamic properties of a saturated hydrocarbon chain confined in a model membrane: a Brownian dynamics simulation

scientific article published on 01 January 2000

Continuous particle size distribution analysis with dynamic light scattering. MAXAMPER: a regularization method using the maximum amplitude for the average error and the Lagrange's multipliers method.

scientific article published in June 1998

Design of mutation-resistant HIV protease inhibitors with the substrate envelope hypothesis

scientific article

Dual inhibitors of P-glycoprotein and tumor cell growth: (re)discovering thioxanthones.

scientific article

Dual-stage triterpenoids from an African medicinal plant targeting the malaria parasite

scientific article

Escherichia coli cell surface perturbation and disruption induced by antimicrobial peptides BP100 and pepR

scientific article published on 21 June 2010

Evaluation of the substrate envelope hypothesis for inhibitors of HIV-1 protease

scientific article published on 01 August 2007

HIV-1 Protease Inhibitors from Inverse Design in the Substrate Envelope Exhibit Subnanomolar Binding to Drug-Resistant Variants

scientific article

Insights into the in vitro antitumor mechanism of action of a new pyranoxanthone.

scientific article

Interpretation of NMR relaxation properties of Pin1, a two-domain protein, based on Brownian dynamic simulations.

scientific article published in May 2004

Lipid membrane-induced optimization for ligand-receptor docking: recent tools and insights for the "membrane catalysis" model.

scientific article

Molecular docking studies of the interaction between propargylic enol ethers and human DNA topoisomerase IIα.

scientific article

Quantitative structure-activity relationship models with receptor-dependent descriptors for predicting peroxisome proliferator-activated receptor activities of thiazolidinedione and oxazolidinedione derivatives.

scientific article published on 21 February 2009

SIMUFLEX: Algorithms and Tools for Simulation of the Conformation and Dynamics of Flexible Molecules and Nanoparticles in Dilute Solution.

scientific article published in October 2009

Screening drug-like compounds by docking to homology models: a systematic study.

scientific article published on January 2006

Simulation of the distribution and diffusion of a rigid amphipathic particle embedded in a model membrane

scientific article published on 01 May 1999

Sulfated small molecules targeting eBV in Burkitt lymphoma: from in silico screening to the evidence of in vitro effect on viral episomal DNA.

scientific article

Using protein homology models for structure-based studies: approaches to model refinement.

scientific article

List of works by Miguel X Fernandes

A Comprehensive Evaluation of Sdox, a Promising H<sub>2</sub>S-Releasing Doxorubicin for the Treatment of Chemoresistant Tumors

Calculation of the solution properties of flexible macromolecules: methods and applications

Comparative QSAR analyses of competitive CYP2C9 inhibitors using three-dimensional molecular descriptors.

Comparing ligand interactions with multiple receptors via serial docking.

Conformation and dynamic properties of a saturated hydrocarbon chain confined in a model membrane: a Brownian dynamics simulation

Continuous particle size distribution analysis with dynamic light scattering. MAXAMPER: a regularization method using the maximum amplitude for the average error and the Lagrange's multipliers method.

Design of mutation-resistant HIV protease inhibitors with the substrate envelope hypothesis

Dual inhibitors of P-glycoprotein and tumor cell growth: (re)discovering thioxanthones.

Dual-stage triterpenoids from an African medicinal plant targeting the malaria parasite

Escherichia coli cell surface perturbation and disruption induced by antimicrobial peptides BP100 and pepR

Evaluation of the substrate envelope hypothesis for inhibitors of HIV-1 protease

HIV-1 Protease Inhibitors from Inverse Design in the Substrate Envelope Exhibit Subnanomolar Binding to Drug-Resistant Variants

Insights into the in vitro antitumor mechanism of action of a new pyranoxanthone.

Interpretation of NMR relaxation properties of Pin1, a two-domain protein, based on Brownian dynamic simulations.

Lipid membrane-induced optimization for ligand-receptor docking: recent tools and insights for the "membrane catalysis" model.

Molecular docking studies of the interaction between propargylic enol ethers and human DNA topoisomerase IIα.

Quantitative structure-activity relationship models with receptor-dependent descriptors for predicting peroxisome proliferator-activated receptor activities of thiazolidinedione and oxazolidinedione derivatives.

SIMUFLEX: Algorithms and Tools for Simulation of the Conformation and Dynamics of Flexible Molecules and Nanoparticles in Dilute Solution.

Screening drug-like compounds by docking to homology models: a systematic study.

Simulation of the distribution and diffusion of a rigid amphipathic particle embedded in a model membrane

Sulfated small molecules targeting eBV in Burkitt lymphoma: from in silico screening to the evidence of in vitro effect on viral episomal DNA.

Using protein homology models for structure-based studies: approaches to model refinement.