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Modulating the Efficacy of Carbonic Anhydrase Inhibitors through Fluorine Substitution.
- Published in:
- Angewandte Chemie, 2021, v. 133, n. 43, p. 23252, doi. 10.1002/ange.202103211
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- Article
Intracellular Protein–Drug Interactions Probed by Direct Mass Spectrometry of Cell Lysates.
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- Angewandte Chemie, 2021, v. 133, n. 36, p. 19789, doi. 10.1002/ange.202104947
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- Article
High‐Throughput Quality Control Assay for the Solid‐Phase Synthesis of DNA‐Encoded Libraries of Macrocycles**.
- Published in:
- Angewandte Chemie, 2021, v. 133, n. 21, p. 12090, doi. 10.1002/ange.202100230
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- Article
Berichtigung: Compact, Polyvalent Mannose Quantum Dots as Sensitive, Ratiometric FRET Probes for Multivalent Protein–Ligand Interactions.
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- Angewandte Chemie, 2020, v. 132, n. 46, p. 20447, doi. 10.1002/ange.202012905
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- Publication type:
- Article
Titelbild: PI by NMR: Probing CH–π Interactions in Protein–Ligand Complexes by NMR Spectroscopy (Angew. Chem. 35/2020).
- Published in:
- Angewandte Chemie, 2020, v. 132, n. 35, p. 14805, doi. 10.1002/ange.202009454
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- Article
PI by NMR: Probing CH–π Interactions in Protein–Ligand Complexes by NMR Spectroscopy.
- Published in:
- Angewandte Chemie, 2020, v. 132, n. 35, p. 14971, doi. 10.1002/ange.202003732
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- Article
Differential Epitope Mapping by STD NMR Spectroscopy To Reveal the Nature of Protein-Ligand Contacts.
- Published in:
- Angewandte Chemie, 2017, v. 129, n. 48, p. 15491, doi. 10.1002/ange.201707682
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- Article
Fluorine Pseudocontact Shifts Used for Characterizing the Protein-Ligand Interaction Mode in the Limit of NMR Intermediate Exchange.
- Published in:
- Angewandte Chemie, 2017, v. 129, n. 42, p. 13162, doi. 10.1002/ange.201707114
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- Publication type:
- Article
Water-Restructuring Mutations Can Reverse the Thermodynamic Signature of Ligand Binding to Human Carbonic Anhydrase.
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- Angewandte Chemie, 2017, v. 129, n. 14, p. 3891, doi. 10.1002/ange.201609409
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- Publication type:
- Article
Selective High-Resolution Detection of Membrane Protein-Ligand Interaction in Native Membranes Using Trityl-Nitroxide PELDOR.
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- Angewandte Chemie, 2016, v. 128, n. 38, p. 11710, doi. 10.1002/ange.201606335
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- Publication type:
- Article
Accelerating the Association of the Most Stable Protein-Ligand Complex by More than Two Orders of Magnitude.
- Published in:
- Angewandte Chemie, 2016, v. 128, n. 32, p. 9496, doi. 10.1002/ange.201603652
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- Publication type:
- Article
Compact, Polyvalent Mannose Quantum Dots as Sensitive, Ratiometric FRET Probes for Multivalent Protein-Ligand Interactions.
- Published in:
- Angewandte Chemie, 2016, v. 128, n. 15, p. 4816, doi. 10.1002/ange.201600593
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- Publication type:
- Article
Structural evidences for a secondary gold binding site in the hydrophobic box of lysozyme.
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- BioMetals, 2015, v. 28, n. 4, p. 745, doi. 10.1007/s10534-015-9863-7
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- Publication type:
- Article
Combination of paromomycin and miltefosine promotes TLR4-dependent induction of antileishmanial immune response in vitro.
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- Journal of Antimicrobial Chemotherapy (JAC), 2012, v. 67, n. 10, p. 2373, doi. 10.1093/jac/dks220
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- Article
In Silico Screening of Syzygium myrtifolium Flavonoid Compounds as Anti-Bacterial Activity.
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- Journal of Tropical Life Science, 2022, v. 12, n. 3, p. 299, doi. 10.11594/jtls.12.03.02
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- Article
Prediction of miRNA interaction with mRNA of stroke candidate genes.
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- 2020
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- Publication type:
- journal article
Bioinformatics analysis of wild-type ParC and S79F, S79Y mutations in Streptococcus pneumoniae.
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- European Review for Medical & Pharmacological Sciences, 2023, v. 27, n. 15, p. 6931
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- Article
(+)-Usnic acid and its salts, inhibitors of SARS‐CoV‐2, identified by using in silico methods and in vitro assay.
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- Scientific Reports, 2022, v. 12, n. 1, p. 1, doi. 10.1038/s41598-022-17506-3
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- Article
Decoding the protein–ligand interactions using parallel graph neural networks.
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- Scientific Reports, 2022, v. 12, n. 1, p. 1, doi. 10.1038/s41598-022-10418-2
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- Publication type:
- Article
A superior loading control for the cellular thermal shift assay.
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- Scientific Reports, 2022, v. 12, n. 1, p. 1, doi. 10.1038/s41598-022-10653-7
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- Article
A highly accurate metadynamics-based Dissociation Free Energy method to calculate protein–protein and protein–ligand binding potencies.
- Published in:
- Scientific Reports, 2022, v. 12, n. 1, p. 1, doi. 10.1038/s41598-022-05875-8
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- Publication type:
- Article
Calculating the force-dependent unbinding rate of biological macromolecular bonds from force-ramp optical trapping assays.
- Published in:
- Scientific Reports, 2022, v. 12, n. 1, p. 1, doi. 10.1038/s41598-021-03690-1
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- Article
Protobiotic Systems Chemistry Analyzed by Molecular Dynamics.
- Published in:
- Life (2075-1729), 2019, v. 9, n. 2, p. 38, doi. 10.3390/life9020038
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- Publication type:
- Article
Anthraquinone Derivatives as an Immune Booster and their Therapeutic Option Against COVID-19.
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- Natural Products & Bioprospecting, 2020, v. 10, n. 5, p. 325, doi. 10.1007/s13659-020-00260-2
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- Publication type:
- Article
Anti-asthmatic fraction screening and mechanisms prediction of Schisandrae Sphenantherae Fructus based on a combined approach.
- Published in:
- Frontiers in Pharmacology, 2022, v. 13, p. 1, doi. 10.3389/fphar.2022.902324
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- Article
Thermal fluctuations of the lipid membrane determine particle uptake into Giant Unilamellar Vesicles.
- Published in:
- Nature Communications, 2023, v. 14, n. 1, p. 1, doi. 10.1038/s41467-022-35302-5
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- Publication type:
- Article
77 Se-Enriched Selenoglycoside Enables Significant Enhancement in NMR Spectroscopic Monitoring of Glycan–Protein Interactions.
- Published in:
- Pharmaceutics, 2022, v. 14, n. 1, p. 201, doi. 10.3390/pharmaceutics14010201
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- Publication type:
- Article
Cytotoxic and Infection-Controlled Investigations of Novel Dihydropyridine Hybrids: An Efficient Synthesis and Molecular-Docking Studies.
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- Pharmaceuticals (14248247), 2023, v. 16, n. 8, p. 1159, doi. 10.3390/ph16081159
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- Publication type:
- Article
Synthesis, In Silico Studies, and Antioxidant and Tyrosinase Inhibitory Potential of 2-(Substituted Phenyl) Thiazolidine-4-Carboxamide Derivatives.
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- Pharmaceuticals (14248247), 2023, v. 16, n. 6, p. 835, doi. 10.3390/ph16060835
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- Article
Discovery of Ureido-Based Apcin Analogues as Cdc20-specific Inhibitors against Cancer.
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- Pharmaceuticals (14248247), 2023, v. 16, n. 2, p. 304, doi. 10.3390/ph16020304
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- Publication type:
- Article
In Vitro and In Silico Study on the Impact of Chlorogenic Acid in Colorectal Cancer Cells: Proliferation, Apoptosis, and Interaction with β-Catenin and LRP6.
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- Pharmaceuticals (14248247), 2023, v. 16, n. 2, p. 276, doi. 10.3390/ph16020276
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- Publication type:
- Article
"Dual Anta-Inhibitors" of the A 2A Adenosine Receptor and Casein Kinase CK1delta: Synthesis, Biological Evaluation, and Molecular Modeling Studies.
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- Pharmaceuticals (14248247), 2023, v. 16, n. 2, p. 167, doi. 10.3390/ph16020167
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- Publication type:
- Article
Design, Synthesis, and Biological Evaluation of 2-Mercaptobenzoxazole Derivatives as Potential Multi-Kinase Inhibitors.
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- Pharmaceuticals (14248247), 2023, v. 16, n. 1, p. 97, doi. 10.3390/ph16010097
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- Publication type:
- Article
In Vitro Characterization of Inhibitors for Lung A549 and Leukemia K562 Cell Lines from Fungal Transformation of Arecoline Supported by In Silico Docking to M3-mAChR and ADME Prediction.
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- Pharmaceuticals (14248247), 2022, v. 15, n. 10, p. 1171, doi. 10.3390/ph15101171
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- Publication type:
- Article
α-Glucosidase and α-Amylase Inhibitory Potentials of Quinoline–1,3,4-oxadiazole Conjugates Bearing 1,2,3-Triazole with Antioxidant Activity, Kinetic Studies, and Computational Validation.
- Published in:
- Pharmaceuticals (14248247), 2022, v. 15, n. 8, p. 1035, doi. 10.3390/ph15081035
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- Article
Exploring the Natural Compounds in Flavonoids for Their Potential Inhibition of Cancer Therapeutic Target MEK1 Using Computational Methods.
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- Pharmaceuticals (14248247), 2022, v. 15, n. 2, p. 195, doi. 10.3390/ph15020195
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- Publication type:
- Article
Inhibition Ability of Natural Compounds on Receptor-Binding Domain of SARS-CoV2: An In Silico Approach.
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- Pharmaceuticals (14248247), 2021, v. 14, n. 12, p. 1328, doi. 10.3390/ph14121328
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- Article
Repurposing the Trypanosomatidic GSK Kinetobox for the Inhibition of Parasitic Pteridine and Dihydrofolate Reductases.
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- Pharmaceuticals (14248247), 2021, v. 14, n. 12, p. 1246, doi. 10.3390/ph14121246
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- Publication type:
- Article
Replacement of Chalcone-Ethers with Chalcone-Thioethers as Potent and Highly Selective Monoamine Oxidase-B Inhibitors and Their Protein-Ligand Interactions.
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- Pharmaceuticals (14248247), 2021, v. 14, n. 11, p. 1148, doi. 10.3390/ph14111148
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- Publication type:
- Article
Matrix Vesicles: Role in Bone Mineralization and Potential Use as Therapeutics.
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- Pharmaceuticals (14248247), 2021, v. 14, n. 4, p. 289, doi. 10.3390/ph14040289
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- Publication type:
- Article
Structure-Based Virtual Screening and De Novo Design of PIM1 Inhibitors with Anticancer Activity from Natural Products.
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- Pharmaceuticals (14248247), 2021, v. 14, n. 3, p. 275, doi. 10.3390/ph14030275
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- Publication type:
- Article
Improved Estimation of Protein-Ligand Binding Free Energy by Using the Ligand-Entropy and Mobility of Water Molecules.
- Published in:
- Pharmaceuticals (14248247), 2013, v. 6, n. 6, p. 604, doi. 10.3390/ph6050604
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- Publication type:
- Article
Integration of Ligand-Based Drug Screening with Structure-Based Drug Screening by Combining Maximum Volume Overlapping Score with Ligand Docking.
- Published in:
- Pharmaceuticals (14248247), 2012, v. 5, n. 12, p. 1332, doi. 10.3390/ph5121332
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- Publication type:
- Article
Symmetrization in the Calculation Pipeline of Gauss Function-Based Modeling of Hydrophobicity in Protein Structures.
- Published in:
- Symmetry (20738994), 2022, v. 14, n. 9, p. 1876, doi. 10.3390/sym14091876
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- Publication type:
- Article
STITCH and Molecular Docking Analysis of Selected Wood Apple (Limonia acidissima) Constituents as Anti-Dandruff and Anti-Acne Agents.
- Published in:
- Journal of Pharmacy & Bioallied Sciences, 2024, v. 16, p. S1167, doi. 10.4103/jpbs.jpbs_508_23
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- Publication type:
- Article
Homology modeling and docking study of Shewanella-like protein phosphatase involved in the development of ookinetes in Plasmodium.
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- Journal of Pharmacy & Bioallied Sciences, 2019, v. 11, n. 3, p. 223, doi. 10.4103/jpbs.JPBS_205_18
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- Publication type:
- Article
DFT Study of Efinaconazole, an Antifungal Drug and Its Molecular Docking against a Holoenzyme (pdb id: 3IDB).
- Published in:
- Journal of Scientific Research, 2021, v. 13, n. 2, p. 679, doi. 10.3329/jsr.v13i2.51731
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- Publication type:
- Article
Imaginative Order from Reasonable Chaos: Conformation-Driven Activity and Reactivity in Exploring Protein–Ligand Interactions.
- Published in:
- Australian Journal of Chemistry, 2018, v. 71, n. 12, p. 917, doi. 10.1071/CH18416
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- Publication type:
- Article
Molecular Similarity: Methods and Performance.
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- Chinese Journal of Chemistry, 2013, v. 31, n. 9, p. 1123, doi. 10.1002/cjoc.201300390
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- Publication type:
- Article
Synthesis, characterization and biological activity of novel ionic liquids with bis-imidazole moieties: antitumor, antimicrobial effects and molecular docking studies.
- Published in:
- Organic Communications, 2024, v. 17, n. 1, p. 23, doi. 10.25135/acg.oc.163.2401.4014
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- Publication type:
- Article