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List of works by Fernando Danilo González Nilo

2D Autocorrelation, CoMFA, and CoMSIA modeling of protein tyrosine kinases' inhibition by substituted pyrido[2,3-d]pyrimidine derivatives.

scientific article published on 13 October 2007

A CoMSIA study on the adenosine kinase inhibition of pyrrolo[2,3-d]pyrimidine nucleoside analogues.

scientific article

A folding reaction at the C-terminal domain drives temperature sensing in TRPM8 channels

scientific article published on 03 August 2020

Anaerobiospirillum succiniciproducens phosphoenolpyruvate carboxykinase. Mutagenesis at metal site 1.

scientific article published in January 2004

Anaerobiospirillum succiniciproducens phosphoenolpyruvate carboxykinase: mutagenesis at metal site 2

scientific article published on 01 August 2003

Antioxidant reactivity toward nitroxide probes anchored into human serum albumin. A new model for studying antioxidant repairing capacity of protein radicals

scientific article published on 22 September 2009

Biomimetics: From Bioinformatics to Rational Design of Dendrimers as Gene Carriers.

scientific article published on 18 September 2015

Biosynthesis of methoxypyrazines: elucidating the structural/functional relationship of two Vitis viniferaO-methyltransferases capable of catalyzing the putative final step of the biosynthesis of 3-alkyl-2-methoxypyrazine.

scientific article published on 9 June 2011

Calculating Position-Dependent Diffusivity in Biased Molecular Dynamics Simulations

scientific article published on 18 January 2013

Computationally efficient methodology for atomic-level characterization of dendrimer-drug complexes: a comparison of amine- and acetyl-terminated PAMAM.

scientific article published on 22 May 2013

Development of a nanoparticle-based oral vaccine for Atlantic salmon against ISAV using an alphavirus replicon as adjuvant

scientific article published on 7 April 2015

Distinct roles of the last transmembrane domain in controlling Arabidopsis K+ channel activity.

scientific article

Distributed structures underlie gating differences between the kin channel KAT1 and the Kout channel SKOR.

scientific article published on 10 December 2009

Docking and quantitative structure-activity relationship studies for the bisphenylbenzimidazole family of non-nucleoside inhibitors of HIV-1 reverse transcriptase

scientific article

Dynamin-2 R465W mutation induces long range perturbation in highly ordered oligomeric structures

scientific article published on 23 October 2020

Effect of Terminal Groups of Dendrimers in the Complexation with Antisense Oligonucleotides and Cell Uptake.

scientific article published on 04 February 2016

Effective pore size and radius of capture for K(+) ions in K-channels.

scientific article published on 2 February 2016

Evaluation by site-directed mutagenesis of active site amino acid residues of Anaerobiospirillum succiniciproducens phosphoenolpyruvate carboxykinase.

scientific article

Experimental and theoretical binding affinity between polyvinylpolypyrrolidone and selected phenolic compounds from food matrices

scientific article

Gating of a pH-Sensitive K2P Potassium Channel by an Electrostatic Effect of Basic Sensor Residues on the Selectivity Filter ⬇️

scientific article published on January 25, 2011

Gating of two-pore domain K+ channels by extracellular pH

scientific article published on 01 November 2006

Histidine triad-like motif of the rotavirus NSP2 octamer mediates both RTPase and NTPase activities

scientific article published on 29 July 2006

Hydrogen peroxide and hypochlorous acid influx through the major S. Typhimurium porin OmpD is affected by substitution of key residues of the channel.

scientific article published on 16 January 2015

Hydrophobic interaction between contiguous residues in the S6 transmembrane segment acts as a stimuli integration node in the BK channel

scientific article published on January 2015

Identification and functional expression of a glutamate- and avermectin-gated chloride channel from Caligus rogercresseyi, a southern Hemisphere sea louse affecting farmed fish

scientific article (publication date: September 2014)

In silico analysis of putative paralytic shellfish poisoning toxins export proteins in cyanobacteria

scientific article

Insight into the Properties of Cardiolipin Containing Bilayers from Molecular Dynamics Simulations, Using a Hybrid All-Atom/United-Atom Force Field

scientific article published on 24 April 2012

Interaction between the Linker, Pre-S1, and TRP Domains Determines Folding, Assembly, and Trafficking of TRPV Channels

scientific article

Intrinsic electrostatic potential in the BK channel pore: role in determining single channel conductance and block.

scientific article

K+ Conduction and Mg2+ Blockade in a Shaker Kv-Channel Single Point Mutant with an Unusually High Conductance ⬇️

scientific article published on September 19, 2012

Ligand interactions and protein conformational changes of phosphopyridoxyl-labeled Escherichia coli phosphoenolpyruvate carboxykinase determined by fluorescence spectroscopy

scientific article published in October 2002

Location of TEMPO derivatives in micelles: subtle effect of the probe orientation

scientific article published on 09 July 2015

Lysine 213 and histidine 233 participate in Mn(II) binding and catalysis in Saccharomyces cerevisiae phosphoenolpyruvate carboxykinase

scientific article published in October 2002

Mechanistic Studies on the Self-Assembly of PLGA Patchy Particles and Their Potential Applications in Biomedical Imaging

scientific article published on 29 July 2016

Molecular basis of drug resistance in A/H1N1 virus

scientific article published on 4 October 2012

Molecular determinants of phosphatidylinositol 4,5-bisphosphate (PI(4,5)P2) binding to transient receptor potential V1 (TRPV1) channels

scientific article published on 25 November 2014

Molecular modeling of the complexes between Saccharomyces cerevisiae phosphoenolpyruvate carboxykinase and the ATP analogs pyridoxal 5'-diphosphoadenosine and pyridoxal 5'-triphosphoadenosine. Specific labeling of lysine 290

scientific article published on 01 January 2000

Mutation Arg336 to Lys in Saccharomyces cerevisiae phosphoenolpyruvate carboxykinase originates an enzyme with increased oxaloacetate decarboxylase activity

scientific article

Nanoinformatics: an emerging area of information technology at the intersection of bioinformatics, computational chemistry and nanobiotechnology ⬇️

scientific article published on May 11, 2011

PAMAM G4 dendrimers as inhibitors of the iron storage properties of human L-chain ferritin

scientific article published on 01 July 2015

Paclitaxel-PHBV nanoparticles and their toxicity to endometrial and primary ovarian cancer cells.

scientific article published on 5 March 2013

Penicillium purpurogenum produces two GH family 43 enzymes with β-xylosidase activity, one monofunctional and the other bifunctional: Biochemical and structural analyses explain the difference.

scientific article published on 31 October 2013

Photophysics and photochemistry of dyes bound to human serum albumin are determined by the dye localization.

scientific article

Pore dimensions and the role of occupancy in unitary conductance of Shaker K channels.

scientific article published on August 2015

Putative binding mode of Escherichia coli exopolyphosphatase and polyphosphates based on a hybrid in silico/biochemical approach

scientific article published on 13 July 2016

Quantitative structure-activity relationship of rubiscolin analogues as delta opioid peptides using comparative molecular field analysis (CoMFA) and comparative molecular similarity indices analysis (CoMSIA).

scientific article

Rational discovery of new capsaicin analogues as TRPV1 activators

scientific article published on 30 April 2015

Relevance of Arg457 for the nucleotide affinity of Saccharomyces cerevisiae phosphoenolpyruvate carboxykinase

scientific article

Relevance of phenylalanine 216 in the affinity of Saccharomyces cerevisiae phosphoenolpyruvate carboxykinase for Mn(II).

scientific article published in February 2007

Role of electrostatics on membrane binding, aggregation and destabilization induced by NAD(P)H dehydrogenases. Implication in membrane fusion

scientific article

Role of the histidine triad-like motif in nucleotide hydrolysis by the rotavirus RNA-packaging protein NSP2.

scientific article

Self-Assembly Behavior of Amphiphilic Janus Dendrimers in Water: A Combined Experimental and Coarse-Grained Molecular Dynamics Simulation Approach

scientific article published on 21 April 2018

Self-Assembly of Amphiphilic Dendrimers: The Role of Generation and Alkyl Chain Length in siRNA Interaction

scientific article

Shared and group-specific features of the rotavirus RNA polymerase reveal potential determinants of gene reassortment restriction.

scientific article published on 08 April 2009

Site-directed mutagenesis study of the microenvironment characteristics of Lys213 of Saccharomyces cerevisiae phosphoenolpyruvate carboxykinase

scientific article published on 17 January 2006

Site-directed mutations and kinetic studies show key residues involved in alkylammonium interactions and reveal two sites for phosphorylcholine in Pseudomonas aeruginosa phosphorylcholine phosphatase

scientific article

Stretch-Induced Activation of Pannexin 1 Channels Can Be Prevented by PKA-Dependent Phosphorylation

scientific article published on 02 December 2020

Structural requirements of pyrido[2,3-d]pyrimidin-7-one as CDK4/D inhibitors: 2D autocorrelation, CoMFA and CoMSIA analyses

scientific article published on 25 April 2008

Structure-antioxidant activity relationships of flavonoids isolated from the resinous exudate of Heliotropium sinuatum

scientific article published on 01 January 2005

Study of Interaction Energies between the PAMAM Dendrimer and Nonsteroidal Anti-Inflammatory Drug Using a Distributed Computational Strategy and Experimental Analysis by ESI-MS/MS ⬇️

scientific article published on February 10, 2012

Study of the interaction between progesterone and beta-cyclodextrin by electrochemical techniques and steered molecular dynamics

scientific article published on 30 July 2008

Substrate binding to fluorescent labeled wild type, Lys213Arg, and HIS233Gln Saccharomyces cerevisiae phosphoenolpyruvate carboxykinases

scientific article published in May 2004

Surface characterization of poly(4-vinylpyridine) quaternized with tetradecyl bromide: effect of the degree of quaternization

scientific article published in March 2004

Synthesis and characterization of an insoluble polymer based on polyamidoamine: applications for the decontamination of metals in aqueous systems.

scientific article published on 7 October 2014

Synthesis, Biological Evaluation, and Molecular Simulation of Chalcones and Aurones as Selective MAO-B Inhibitors

scientific article published on 15 November 2014

The C-terminal regions have an important role in the activity of the ferroxidase center and the stability of Chlorobium tepidum ferritin.

scientific article

The molecular nature of the 17β-Estradiol binding site in the voltage- and Ca2+-activated K+ (BK) channel β1 subunit

scientific article published on 10 July 2019

The pH sensor of the plant K+-uptake channel KAT1 is built from a sensory cloud rather than from single key amino acids

scientific article published on 01 February 2012

Urea-induced unfolding studies of free- and ligand-bound tetrameric ATP-dependent Saccharomyces cerevisiae phosphoenolpyruvate carboxykinase. Influence of quaternary structure on protein conformational stability

scientific article

pH-dependent nano-capturing of tartaric acid using dendrimers

scientific article published in January 2014

β1-subunit-induced structural rearrangements of the Ca2+- and voltage-activated K+ (BK) channel

scientific article published on 23 May 2016

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