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Intermolecular Carbonyl–olefin Metathesis with Vinyl Ethers Catalyzed by Homogeneous and Solid Acids in Flow.
- Published in:
- Angewandte Chemie, 2020, v. 132, n. 10, p. 3874, doi. 10.1002/ange.201909597
- By:
- Publication type:
- Article
Efficient GPU-based parallelization of solvation calculation for the blind docking problem.
- Published in:
- Journal of Supercomputing, 2020, v. 76, n. 3, p. 1980, doi. 10.1007/s11227-019-02834-5
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- Publication type:
- Article
High-performance computing and big data in omics-based medicine.
- Published in:
- 2014
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- Publication type:
- Journal Article
A Performance/Cost Evaluation for a GPU-Based Drug Discovery Application on Volunteer Computing.
- Published in:
- BioMed Research International, 2014, v. 2014, p. 1, doi. 10.1155/2014/474219
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- Publication type:
- Article
Managing, Analysing, and Integrating Big Data in Medical Bioinformatics: Open Problems and Future Perspectives.
- Published in:
- BioMed Research International, 2014, v. 2014, p. 1, doi. 10.1155/2014/134023
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- Publication type:
- Article
Effect of Inhibiting Butyrylcholinesterase Activity Using Fractionated Coffee Extracts Digested In Vitro in Gastrointestinal Tract: Docking Simulation and Calorimetric and Studies.
- Published in:
- Nutrients, 2023, v. 15, n. 10, p. 2366, doi. 10.3390/nu15102366
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- Publication type:
- Article
Reply to Zarguan et al. Comment on "Budryn et al. Hydroxybenzoic Acids as Acetylcholinesterase Inhibitors: Calorimetric and Docking Simulation Studies. Nutrients 2022, 14 , 2476".
- Published in:
- Nutrients, 2022, v. 14, n. 22, p. 4860, doi. 10.3390/nu14224860
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- Publication type:
- Article
Evaluation of Activity of Sesquiterpene Lactones and Chicory Extracts as Acetylcholinesterase Inhibitors Assayed in Calorimetric and Docking Simulation Studies.
- Published in:
- Nutrients, 2022, v. 14, n. 17, p. 3633, doi. 10.3390/nu14173633
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- Publication type:
- Article
Hydroxybenzoic Acids as Acetylcholinesterase Inhibitors: Calorimetric and Docking Simulation Studies.
- Published in:
- Nutrients, 2022, v. 14, n. 12, p. 2476, doi. 10.3390/nu14122476
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- Publication type:
- Article
Computational studies on horseshoe shape pocket of human orexin receptor type 2 and boat conformation of suvorexant by molecular dynamics simulations.
- Published in:
- Chemical Biology & Drug Design, 2018, v. 92, n. 1, p. 1221, doi. 10.1111/cbdd.13181
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- Publication type:
- Article
Computational Study of Asian Propolis Compounds as Potential Anti-Type 2 Diabetes Mellitus Agents by Using Inverse Virtual Screening with the DIA-DB Web Server, Tanimoto Similarity Analysis, and Molecular Dynamic Simulation.
- Published in:
- Molecules, 2022, v. 27, n. 13, p. 3972, doi. 10.3390/molecules27133972
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- Publication type:
- Article
Comprehensive Characterization of Linalool-HP-β-Cyclodextrin Inclusion Complexes.
- Published in:
- Molecules, 2020, v. 25, n. 21, p. 5069, doi. 10.3390/molecules25215069
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- Publication type:
- Article
Evaluation of Isoflavones as Bone Resorption Inhibitors upon Interactions with Receptor Activator of Nuclear Factor-κB Ligand (RANKL).
- Published in:
- Molecules, 2020, v. 25, n. 1, p. 206, doi. 10.3390/molecules25010206
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- Publication type:
- Article
Evaluation of the Anti-Diabetic Activity of Some Common Herbs and Spices: Providing New Insights with Inverse Virtual Screening.
- Published in:
- Molecules, 2019, v. 24, n. 22, p. 4030, doi. 10.3390/molecules24224030
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- Publication type:
- Article
Minimal Structural Changes Determine Full and Partial Nicotinic Receptor Agonist Activity for Nicotine Analogues.
- Published in:
- Molecules, 2019, v. 24, n. 15, p. 2684, doi. 10.3390/molecules24152684
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- Publication type:
- Article
Exploring African Medicinal Plants for Potential Anti-Diabetic Compounds with the DIA-DB Inverse Virtual Screening Web Server.
- Published in:
- Molecules, 2019, v. 24, n. 10, p. 2002, doi. 10.3390/molecules24102002
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- Publication type:
- Article
Binding of Red Clover Isoflavones to Actin as A Potential Mechanism of Anti-Metastatic Activity Restricting the Migration of Cancer Cells.
- Published in:
- Molecules, 2018, v. 23, n. 10, p. 2471, doi. 10.3390/molecules23102471
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- Publication type:
- Article
Mixture of Forward-Directed and Backward-Directed Autoregressive Hidden Markov Models for Time Series Modeling.
- Published in:
- Journal of the Iranian Statistical Society, 2019, v. 18, n. 1, p. 89, doi. 10.29252/jirss.18.1.89
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- Publication type:
- Article
Size and Flexibility Define the Inhibition of the H3N2 Influenza Endonuclease Enzyme by Calix[n]arenes.
- Published in:
- Antibiotics (2079-6382), 2019, v. 8, n. 2, p. 73, doi. 10.3390/antibiotics8020073
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- Publication type:
- Article
Labelling Herceptin with a novel oxaliplatin derivative: a computational approach towards the selective drug delivery.
- Published in:
- Journal of Molecular Modeling, 2014, v. 20, n. 9, p. 1, doi. 10.1007/s00894-014-2401-7
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- Publication type:
- Article
Fishing the Targets of Bioactive Compounds from Psidium guajava L. Leaves in the Context of Diabetes.
- Published in:
- International Journal of Molecular Sciences, 2023, v. 24, n. 6, p. 5761, doi. 10.3390/ijms24065761
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- Publication type:
- Article
A Phytoprostane from Gracilaria longissima Increases Platelet Activation, Platelet Adhesion to Leukocytes and Endothelial Cell Migration by Potential Binding to EP3 Prostaglandin Receptor.
- Published in:
- International Journal of Molecular Sciences, 2023, v. 24, n. 3, p. 2730, doi. 10.3390/ijms24032730
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- Publication type:
- Article
Senescence-Independent Anti-Inflammatory Activity of the Senolytic Drugs Dasatinib, Navitoclax, and Venetoclax in Zebrafish Models of Chronic Inflammation.
- Published in:
- International Journal of Molecular Sciences, 2022, v. 23, n. 18, p. N.PAG, doi. 10.3390/ijms231810468
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- Publication type:
- Article
Identification of Kukoamine A, Zeaxanthin, and Clexane as New Furin Inhibitors.
- Published in:
- International Journal of Molecular Sciences, 2022, v. 23, n. 5, p. 2796, doi. 10.3390/ijms23052796
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- Publication type:
- Article
Towards the Interpretability of Machine Learning Predictions for Medical Applications Targeting Personalised Therapies: A Cancer Case Survey.
- Published in:
- International Journal of Molecular Sciences, 2021, v. 22, n. 9, p. 4394, doi. 10.3390/ijms22094394
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- Publication type:
- Article
Selective Binding of Cyclodextrins with Leflunomide and Its Pharmacologically Active Metabolite Teriflunomide.
- Published in:
- International Journal of Molecular Sciences, 2020, v. 21, n. 23, p. 9102, doi. 10.3390/ijms21239102
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- Publication type:
- Article
Norditerpenoids with Selective Anti-Cholinesterase Activity from the Roots of Perovskia atriplicifolia Benth.
- Published in:
- International Journal of Molecular Sciences, 2020, v. 21, n. 12, p. 4475, doi. 10.3390/ijms21124475
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- Publication type:
- Article
Multifunctional Peptides from Spanish Dry-Cured Pork Ham: Endothelial Responses and Molecular Modeling Studies.
- Published in:
- International Journal of Molecular Sciences, 2019, v. 20, n. 17, p. 4204, doi. 10.3390/ijms20174204
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- Publication type:
- Article
High-Throughput parallel blind Virtual Screening using BINDSURF.
- Published in:
- BMC Bioinformatics, 2012, v. 13, n. Suppl 14, p. 1, doi. 10.1186/1471-2105-13-S14-S13
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- Publication type:
- Article
Evaluation of Natural Peptides to Prevent and Reduce the Novel SARS-CoV-2 Infection.
- Published in:
- Journal of Food Quality, 2022, p. 1, doi. 10.1155/2022/2102937
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- Publication type:
- Article
A methodology for evaluating multi-objective evolutionary feature selection for classification in the context of virtual screening.
- Published in:
- Soft Computing - A Fusion of Foundations, Methodologies & Applications, 2019, v. 23, n. 18, p. 8775, doi. 10.1007/s00500-018-3479-0
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- Publication type:
- Article
Analysis of AlphaFold and molecular dynamics structure predictions of mutations in serpins.
- Published in:
- PLoS ONE, 2024, v. 19, n. 7, p. 1, doi. 10.1371/journal.pone.0304451
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- Publication type:
- Article
High throughput in-silico screening against flexible protein receptors.
- Published in:
- 2010
- By:
- Publication type:
- Abstract
Flavonoids improve the stability and function of P23H rhodopsin slowing down the progression of retinitis pigmentosa in mice.
- Published in:
- Journal of Neuroscience Research, 2022, v. 100, n. 4, p. 1063, doi. 10.1002/jnr.25021
- By:
- Publication type:
- Article
Intermolecular Carbonyl–olefin Metathesis with Vinyl Ethers Catalyzed by Homogeneous and Solid Acids in Flow.
- Published in:
- Angewandte Chemie International Edition, 2020, v. 59, n. 10, p. 3846, doi. 10.1002/anie.201909597
- By:
- Publication type:
- Article
Ligand-based virtual screening, molecular docking, and molecular dynamics of eugenol analogs as potential acetylcholinesterase inhibitors with biological activity against Spodoptera frugiperda.
- Published in:
- Molecular Diversity, 2022, v. 26, n. 4, p. 2025, doi. 10.1007/s11030-021-10312-5
- By:
- Publication type:
- Article
Latest QSAR study of adenosine A $$_{\mathrm{2B}}$$ receptor affinity of xanthines and deazaxanthines.
- Published in:
- Molecular Diversity, 2015, v. 19, n. 4, p. 975, doi. 10.1007/s11030-015-9608-0
- By:
- Publication type:
- Article
Accelerating Big Data Analysis through LASSO-Random Forest Algorithm in QSAR Studies.
- Published in:
- Bioinformatics, 2022, v. 38, n. 2, p. 469, doi. 10.1093/bioinformatics/btab659
- By:
- Publication type:
- Article
METADOCK 2: a high-throughput parallel metaheuristic scheme for molecular docking.
- Published in:
- Bioinformatics, 2021, v. 37, n. 11, p. 1515, doi. 10.1093/bioinformatics/btz958
- By:
- Publication type:
- Article
An Interpretable Machine Learning Approach to Predict Sensory Processing Sensitivity Trait in Nursing Students.
- Published in:
- European Journal of Investigation in Health, Psychology & Education (EJIHPE), 2024, v. 14, n. 4, p. 913, doi. 10.3390/ejihpe14040059
- By:
- Publication type:
- Article
Computation Screening of Multi-Target Antidiabetic Properties of Phytochemicals in Common Edible Mediterranean Plants.
- Published in:
- Plants (2223-7747), 2022, v. 11, n. 13, p. 1637, doi. 10.3390/plants11131637
- By:
- Publication type:
- Article
Application advances of deep learning methods for de novo drug design and molecular dynamics simulation.
- Published in:
- WIREs: Computational Molecular Science, 2022, v. 12, n. 3, p. 1, doi. 10.1002/wcms.1581
- By:
- Publication type:
- Article
Thorough characterization and stability of HP‐β‐cyclodextrin thymol inclusion complexes prepared by microwave technology: A required approach to a successful application in food industry.
- Published in:
- Journal of the Science of Food & Agriculture, 2019, v. 99, n. 3, p. 1322, doi. 10.1002/jsfa.9307
- By:
- Publication type:
- Article
The Inhibitory Effects of Bioactive Compounds of Tomato Juice Binding to Hepatic HMGCR: <i>In Vivo</i> Study and Molecular Modelling.
- Published in:
- PLoS ONE, 2014, v. 9, n. 1, p. 1, doi. 10.1371/journal.pone.0083968
- By:
- Publication type:
- Article
The role of different sampling methods in improving biological activity prediction using deep belief network.
- Published in:
- Journal of Computational Chemistry, 2017, v. 38, n. 4, p. 195, doi. 10.1002/jcc.24671
- By:
- Publication type:
- Article
L-Type Ca(2+) Channels and SK Channels in Mouse Embryonic Stem Cells and Their Contribution to Cell Proliferation.
- Published in:
- 2015
- By:
- Publication type:
- journal article
L-Type Ca Channels and SK Channels in Mouse Embryonic Stem Cells and Their Contribution to Cell Proliferation.
- Published in:
- Journal of Membrane Biology, 2015, v. 248, n. 4, p. 671, doi. 10.1007/s00232-015-9779-8
- By:
- Publication type:
- Article
New arylated benzo[h]quinolines induce anti-cancer activity by oxidative stress-mediated DNA damage.
- Published in:
- Scientific Reports, 2016, p. 38128, doi. 10.1038/srep38128
- By:
- Publication type:
- Article
New role of the antidepressant imipramine as a Fascin1 inhibitor in colorectal cancer cells.
- Published in:
- Experimental & Molecular Medicine EMM, 2020, p. 281, doi. 10.1038/s12276-020-0389-x
- By:
- Publication type:
- Article
Correction to: Evaluation of affinity of bioactive isolates from various coffee extracts through binding with PPAR‐γ with the use of isothermal titration calorimetry and docking simulation to prevent antidiabetic effects.
- Published in:
- 2020
- By:
- Publication type:
- Correction Notice