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Insights into Early Steps of Decanoic Acid Self-Assemblies under Prebiotic Temperatures Using Molecular Dynamics Simulations.
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- Membranes, 2023, v. 13, n. 5, p. 469, doi. 10.3390/membranes13050469
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- Article
Search for Novel Potent Inhibitors of the SARS-CoV-2 Papain-like Enzyme: A Computational Biochemistry Approach.
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- Pharmaceuticals (14248247), 2022, v. 15, n. 8, p. 986, doi. 10.3390/ph15080986
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- Article
Steady State Kinetics for Enzymes with Multiple Binding Sites Upstream of the Catalytic Site.
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- Symmetry (20738994), 2023, v. 15, n. 12, p. 2176, doi. 10.3390/sym15122176
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- Article
Synthesis, Biological Evaluation, and Molecular Simulation of Chalcones and Aurones as Selective MAO- B Inhibitors.
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- Chemical Biology & Drug Design, 2015, v. 85, n. 6, p. 685, doi. 10.1111/cbdd.12458
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- Article
Docking and Quantitative Structure–Activity Relationship Studies for the Bisphenylbenzimidazole Family of Non-Nucleoside Inhibitors of HIV-1 Reverse Transcriptase.
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- Chemical Biology & Drug Design, 2008, v. 72, n. 5, p. 360, doi. 10.1111/j.1747-0285.2008.00716.x
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- Article
Structural Factors That Determine the Activity of the Xenobiotic Reductase B Enzyme from Pseudomonas putida on Nitroaromatic Compounds.
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- International Journal of Molecular Sciences, 2023, v. 24, n. 1, p. 400, doi. 10.3390/ijms24010400
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- Article
The Emergence of New Catalytic Abilities in an Endoxylanase from Family GH10 by Removing an Intrinsically Disordered Region.
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- International Journal of Molecular Sciences, 2022, v. 23, n. 4, p. 2315, doi. 10.3390/ijms23042315
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- Article
Stretch-Induced Activation of Pannexin 1 Channels Can Be Prevented by PKA-Dependent Phosphorylation.
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- International Journal of Molecular Sciences, 2020, v. 21, n. 23, p. 9180, doi. 10.3390/ijms21239180
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- Article
Structure and application of antifreeze proteins from Antarctic bacteria.
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- Microbial Cell Factories, 2017, v. 16, p. 1, doi. 10.1186/s12934-017-0737-2
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- Article
Supramolecular complexes of quantum dots and a polyamidoamine (PAMAM)-folate derivative for molecular imaging of cancer cells.
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- Analytical & Bioanalytical Chemistry, 2011, v. 400, n. 2, p. 483, doi. 10.1007/s00216-011-4756-2
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- Article
Unnexins: Homologs of innexin proteins in Trypanosomatidae parasites.
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- Journal of Cellular Physiology, 2022, v. 237, n. 2, p. 1547, doi. 10.1002/jcp.30626
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- Article
Self-Assembly of Amphiphilic Dendrimers: The Role of Generation and Alkyl Chain Length in siRNA Interaction.
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- Scientific Reports, 2016, p. 29436, doi. 10.1038/srep29436
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- Article
Effective pore size and radius of capture for K<sup>+</sup> ions in K-channels.
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- Scientific Reports, 2016, p. 19893, doi. 10.1038/srep19893
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- Article
Molecular dynamics simulation of the aqueous solvation shell of cellulose and xanthate ester derivatives.
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- Journal of Physical Organic Chemistry, 2006, v. 19, n. 12, p. 896, doi. 10.1002/poc.1074
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- Article
Relative solvation and strength of polycyano- and polynitromethanes in water: a study with molecular dynamics simulations.
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- Journal of Physical Organic Chemistry, 2005, v. 18, n. 2, p. 128, doi. 10.1002/poc.867
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- Article
Biomimetics: From Bioinformatics to Rational Design of Dendrimers as Gene Carriers.
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- PLoS ONE, 2015, v. 10, n. 9, p. 1, doi. 10.1371/journal.pone.0138392
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- Article
<i>In Silico</i> Analysis of Putative Paralytic Shellfish Poisoning Toxins Export Proteins in Cyanobacteria.
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- PLoS ONE, 2013, v. 8, n. 2, p. 1, doi. 10.1371/journal.pone.0055664
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- Article
Gating of a pH-Sensitive K<sub>2P</sub> Potassium Channel by an Electrostatic Effect of Basic Sensor Residues on the Selectivity Filter.
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- PLoS ONE, 2011, v. 6, n. 1, p. 1, doi. 10.1371/journal.pone.0016141
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- Article
Novel TRPV1 Channel Agonists With Faster and More Potent Analgesic Properties Than Capsaicin.
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- Frontiers in Pharmacology, 2020, v. 11, p. 1, doi. 10.3389/fphar.2020.01040
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- Article
The molecular nature of the 17β-Estradiol binding site in the voltage- and Ca<sup>2+</sup>-activated K<sup>+</sup> (BK) channel β1 subunit.
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- Scientific Reports, 2019, v. 9, n. 1, p. N.PAG, doi. 10.1038/s41598-019-45942-1
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Nanoinformatics: developing new computing applications for nanomedicine.
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- Computing, 2012, v. 94, n. 6, p. 521, doi. 10.1007/s00607-012-0191-2
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- Article
Cationic Carbosilane Dendritic Systems as Promising Anti‐Amyloid Agents in Type 2 Diabetes.
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- Chemistry - A European Journal, 2020, v. 26, n. 34, p. 7609, doi. 10.1002/chem.202000091
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- Article
Novel Insights for Inhibiting Mutant Heterodimer IDH1<sup>wt-R132H</sup> in Cancer: An In-Silico Approach.
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- Molecular Diagnosis & Therapy, 2018, v. 22, n. 3, p. 369, doi. 10.1007/s40291-018-0331-2
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- Article
Intracellular trafficking and cellular uptake mechanism of PHBV nanoparticles for targeted delivery in epithelial cell lines.
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- Journal of Nanobiotechnology, 2017, v. 15, p. 1, doi. 10.1186/s12951-016-0241-6
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- Article
Dynamin-2 R465W mutation induces long range perturbation in highly ordered oligomeric structures.
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- Scientific Reports, 2020, v. 10, n. 1, p. N.PAG, doi. 10.1038/s41598-020-75216-0
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- Article
Structural determinants of TRPV4 inhibition and identification of new antagonists with antiviral activity.
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- British Journal of Pharmacology, 2022, v. 179, n. 14, p. 3576, doi. 10.1111/bph.15267
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- Article
Thermodynamic and structural basis of temperature-dependent gating in TRP channels.
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- Biochemical Society Transactions, 2021, v. 49, n. 5, p. 2211, doi. 10.1042/BST20210301
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Integration of target discovery, drug discovery and drug delivery: A review on computational strategies.
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- WIREs: Nanomedicine & Nanobiotechnology, 2019, v. 11, n. 4, p. N.PAG, doi. 10.1002/wnan.1554
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Blends containing amphiphilic polymers. V. Compatibilization of N‐alkylitaconamic acid‐co‐styrene copolymers with interacting polymers.
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- Journal of Applied Polymer Science, 2006, v. 102, n. 3, p. 2512
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Selecting optimal mixtures of natural sweeteners for carbonated soft drinks through multi‐objective decision modeling and sensory validation.
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- Journal of Sensory Studies, 2018, v. 33, n. 6, p. N.PAG, doi. 10.1111/joss.12466
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- Article
Different Classes of Antidepressants Inhibit the Rat α7 Nicotinic Acetylcholine Receptor by Interacting within the Ion Channel: A Functional and Structural Study.
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- Molecules, 2021, v. 26, n. 4, p. 998, doi. 10.3390/molecules26040998
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- Article
Self-Assembly Behavior of Amphiphilic Janus Dendrimers in Water: A Combined Experimental and Coarse-Grained Molecular Dynamics Simulation Approach.
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- Molecules, 2018, v. 23, n. 4, p. 969, doi. 10.3390/molecules23040969
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- Article
Distinct roles of the last transmembrane domain in controlling Arabidopsis K<sup>+</sup> channel activity.
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- New Phytologist, 2009, v. 182, n. 2, p. 380, doi. 10.1111/j.1469-8137.2008.02749.x
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- Article
Effect of Terminal Groups of Dendrimers in the Complexation with Antisense Oligonucleotides and Cell Uptake.
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- Nanoscale Research Letters, 2016, v. 11, n. 1, p. 1, doi. 10.1186/s11671-016-1260-9
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- Article
The C-Terminal Regions Have an Important Role in the Activity of the Ferroxidase Center and the Stability of Chlorobium tepidum Ferritin.
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- Protein Journal, 2014, v. 33, n. 3, p. 211, doi. 10.1007/s10930-014-9552-3
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- Article
Increased Absorption of Thyroxine in a Murine Model of Hypothyroidism Using Water/CO 2 Nanobubbles.
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- International Journal of Molecular Sciences, 2024, v. 25, n. 11, p. 5827, doi. 10.3390/ijms25115827
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- Article
PLIDflow: an open-source workflow for the online analysis of protein–ligand docking using galaxy.
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- Bioinformatics, 2020, v. 36, n. 14, p. 4203, doi. 10.1093/bioinformatics/btaa481
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- Article