about
Design of mutation-resistant HIV protease inhibitors with the substrate envelope hypothesisHIV-1 Protease Inhibitors from Inverse Design in the Substrate Envelope Exhibit Subnanomolar Binding to Drug-Resistant VariantsComparative QSAR analyses of competitive CYP2C9 inhibitors using three-dimensional molecular descriptors.Sulfated small molecules targeting eBV in Burkitt lymphoma: from in silico screening to the evidence of in vitro effect on viral episomal DNA.Molecular docking studies of the interaction between propargylic enol ethers and human DNA topoisomerase IIα.Lipid membrane-induced optimization for ligand-receptor docking: recent tools and insights for the "membrane catalysis" model.Dual-stage triterpenoids from an African medicinal plant targeting the malaria parasite.Dual inhibitors of P-glycoprotein and tumor cell growth: (re)discovering thioxanthones.Insights into the in vitro antitumor mechanism of action of a new pyranoxanthone.Escherichia coli cell surface perturbation and disruption induced by antimicrobial peptides BP100 and pepRScreening drug-like compounds by docking to homology models: a systematic study.Quantitative structure-activity relationship models with receptor-dependent descriptors for predicting peroxisome proliferator-activated receptor activities of thiazolidinedione and oxazolidinedione derivatives.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.Interpretation of NMR relaxation properties of Pin1, a two-domain protein, based on Brownian dynamic simulations.SIMUFLEX: Algorithms and Tools for Simulation of the Conformation and Dynamics of Flexible Molecules and Nanoparticles in Dilute Solution.Comparing ligand interactions with multiple receptors via serial docking.Using protein homology models for structure-based studies: approaches to model refinement.Calculation of the solution properties of flexible macromolecules: methods and applicationsConformation and dynamic properties of a saturated hydrocarbon chain confined in a model membrane: a Brownian dynamics simulationSimulation of the distribution and diffusion of a rigid amphipathic particle embedded in a model membraneEvaluation of the substrate envelope hypothesis for inhibitors of HIV-1 protease
P50
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P50
description
researcher
@en
wetenschapper
@nl
հետազոտող
@hy
name
Miguel X Fernandes
@ast
Miguel X Fernandes
@en
Miguel X Fernandes
@es
Miguel X Fernandes
@nl
type
label
Miguel X Fernandes
@ast
Miguel X Fernandes
@en
Miguel X Fernandes
@es
Miguel X Fernandes
@nl
prefLabel
Miguel X Fernandes
@ast
Miguel X Fernandes
@en
Miguel X Fernandes
@es
Miguel X Fernandes
@nl
P106
P1153
35466972500
P21
P31
P496
0000-0002-1840-616X