Found: 92
Select item for more details and to access through your institution.
GraphEGFR: Multi‐task and transfer learning based on molecular graph attention mechanism and fingerprints improving inhibitor bioactivity prediction for EGFR family proteins on data scarcity.
- Published in:
- Journal of Computational Chemistry, 2024, v. 45, n. 23, p. 2001, doi. 10.1002/jcc.27388
- By:
- Publication type:
- Article
Machine learning‐guided design of potent darunavir analogs targeting HIV‐1 proteases: A computational approach for antiretroviral drug discovery.
- Published in:
- Journal of Computational Chemistry, 2024, v. 45, n. 13, p. 953, doi. 10.1002/jcc.27298
- By:
- Publication type:
- Article
Exploring the Therapeutic Potential of Spilanthol from Acmella paniculata (Wall ex DC.) R. K. Jansen in Attenuating Neurodegenerative Diseases: A Multi-Faceted Approach Integrating In Silico and In Vitro Methodologies.
- Published in:
- Applied Sciences (2076-3417), 2024, v. 14, n. 9, p. 3755, doi. 10.3390/app14093755
- By:
- Publication type:
- Article
Correction: Nukulkit et al. Eight Indole Alkaloids from the Roots of Maerua siamensis and Their Nitric Oxide Inhibitory Effects. Molecules 2022, 27 , 7558.
- Published in:
- 2024
- By:
- Publication type:
- Correction Notice
Design, Synthesis, and Characterization of Novel Styryl Dyes as Fluorescent Probes for Tau Aggregate Detection in Vitro and in Cells.
- Published in:
- Chemistry - An Asian Journal, 2024, v. 19, n. 6, p. 1, doi. 10.1002/asia.202301081
- By:
- Publication type:
- Article
Front Cover: Design, Synthesis, and Characterization of Novel Styryl Dyes as Fluorescent Probes for Tau Aggregate Detection in Vitro and in Cells (Chem. Asian J. 6/2024).
- Published in:
- Chemistry - An Asian Journal, 2024, v. 19, n. 6, p. 1, doi. 10.1002/asia.202400260
- By:
- Publication type:
- Article
Unlocking E‐arylidene Steroid Derivatives as Promising α‐Glucosidase Inhibitors.
- Published in:
- ChemistrySelect, 2024, v. 9, n. 9, p. 1, doi. 10.1002/slct.202303887
- By:
- Publication type:
- Article
Stimulating T cell responses against patient-derived breast cancer cells with neoantigen peptide-loaded peripheral blood mononuclear cells.
- Published in:
- Cancer Immunology, Immunotherapy, 2024, v. 73, n. 3, p. 1, doi. 10.1007/s00262-024-03627-3
- By:
- Publication type:
- Article
Editorial: Discovery of EGFR tyrosine kinase inhibitors for cancer treatment.
- Published in:
- Frontiers in Drug Discovery, 2024, p. 1, doi. 10.3389/fddsv.2024.1365318
- By:
- Publication type:
- Article
Molecular binding of different classes of organophosphates to methyl parathion hydrolase from Ochrobactrum species.
- Published in:
- Proteins, 2024, v. 92, n. 1, p. 96, doi. 10.1002/prot.26579
- By:
- Publication type:
- Article
HLA-B*46:01:01:01 and HLA-DRB1*09:01:02:01 are associated with anti-rHuEPO-induced pure red cell aplasia.
- Published in:
- Scientific Reports, 2023, v. 13, n. 1, p. 1, doi. 10.1038/s41598-023-50211-3
- By:
- Publication type:
- Article
Structure—yeast α-glucosidase inhibitory activity relationship of 9-O-berberrubine carboxylates.
- Published in:
- Scientific Reports, 2023, v. 13, n. 1, p. 1, doi. 10.1038/s41598-023-45116-0
- By:
- Publication type:
- Article
Computational design of novel nanobodies targeting the receptor binding domain of variants of concern of SARS-CoV-2.
- Published in:
- PLoS ONE, 2023, v. 18, n. 10, p. 1, doi. 10.1371/journal.pone.0293263
- By:
- Publication type:
- Article
Enhancement by pyrazolones of colistin efficacy against mcr-1-expressing E. coli: an in silico and in vitro investigation.
- Published in:
- Journal of Computer-Aided Molecular Design, 2023, v. 37, n. 10, p. 479, doi. 10.1007/s10822-023-00519-z
- By:
- Publication type:
- Article
Detection and classification of mutational field between Omicron BA.5 and other SARS-CoV-2 variants of concern with support vector machine.
- Published in:
- ScienceAsia, 2023, v. 49, n. 5, p. 726, doi. 10.2306/scienceasia1513-1874.2023.070
- By:
- Publication type:
- Article
Targeting the main protease for COVID-19 treatment: A comprehensive review of computational screening and experimental studies.
- Published in:
- ScienceAsia, 2023, v. 49, n. 4, p. 477, doi. 10.2306/scienceasia1513-1874.2023.047
- By:
- Publication type:
- Article
The 8-bromobaicalein inhibited the replication of dengue, and Zika viruses and targeted the dengue polymerase.
- Published in:
- Scientific Reports, 2023, v. 13, n. 1, p. 1, doi. 10.1038/s41598-023-32049-x
- By:
- Publication type:
- Article
Author Correction: The 8-bromobaicalein inhibited the replication of dengue, and Zika viruses and targeted the dengue polymerase.
- Published in:
- 2023
- By:
- Publication type:
- Correction Notice
Discovery of Novel EGFR Inhibitor Targeting Wild-Type and Mutant Forms of EGFR: In Silico and In Vitro Study.
- Published in:
- Molecules, 2023, v. 28, n. 7, p. 3014, doi. 10.3390/molecules28073014
- By:
- Publication type:
- Article
Quantitative Structure–Electrochemistry Relationship (QSER) Studies on Metal–Amino–Porphyrins for the Rational Design of CO 2 Reduction Catalysts.
- Published in:
- Molecules, 2023, v. 28, n. 7, p. 3105, doi. 10.3390/molecules28073105
- By:
- Publication type:
- Article
In silico screening of chalcones and flavonoids as potential inhibitors against yellow head virus 3C-like protease.
- Published in:
- PeerJ, 2023, p. 1, doi. 10.7717/peerj.15086
- By:
- Publication type:
- Article
Prediction of substrate binding on mobile colistin resistance using in silico approach.
- Published in:
- ScienceAsia, 2023, v. 49, n. 2, p. 169, doi. 10.2306/scienceasia1513-1874.2022.152
- By:
- Publication type:
- Article
The 8-bromobaicalein inhibited the replication of dengue, and Zika viruses and targeted the dengue polymerase.
- Published in:
- Scientific Reports, 2023, v. 13, n. 1, p. 1, doi. 10.1038/s41598-023-32049-x
- By:
- Publication type:
- Article
In vitro and in silico studies of 7′′,8′′-buddlenol D anti-inflammatory lignans from Carallia brachiata as p38 MAP kinase inhibitors.
- Published in:
- Scientific Reports, 2023, v. 13, n. 1, p. 1, doi. 10.1038/s41598-023-30475-5
- By:
- Publication type:
- Article
In Vitro and In Silico Study on the Molecular Encapsulation of α-Tocopherol in a Large-Ring Cyclodextrin.
- Published in:
- International Journal of Molecular Sciences, 2023, v. 24, n. 5, p. 4425, doi. 10.3390/ijms24054425
- By:
- Publication type:
- Article
Proteomics and Molecular Docking Analyses Reveal the Bio-Chemical and Molecular Mechanism Underlying the Hypolipidemic Activity of Nano-Liposomal Bioactive Peptides in 3T3-L1 Adipocytes.
- Published in:
- Foods, 2023, v. 12, n. 4, p. 780, doi. 10.3390/foods12040780
- By:
- Publication type:
- Article
Rational Design of a Low-Data Regime of Pyrrole Antioxidants for Radical Scavenging Activities Using Quantum Chemical Descriptors and QSAR with the GA-MLR and ANN Concepts.
- Published in:
- Molecules, 2023, v. 28, n. 4, p. 1596, doi. 10.3390/molecules28041596
- By:
- Publication type:
- Article
The Screening of Homo‐ and Hetero‐Dual Atoms Anchored Graphdiyne for Boosting Electrochemical CO<sub>2</sub> Reduction.
- Published in:
- Advanced Materials Interfaces, 2023, v. 10, n. 5, p. 1, doi. 10.1002/admi.202201904
- By:
- Publication type:
- Article
The Screening of Homo‐ and Hetero‐Dual Atoms Anchored Graphdiyne for Boosting Electrochemical CO<sub>2</sub> Reduction (Adv. Mater. Interfaces 5/2023).
- Published in:
- Advanced Materials Interfaces, 2023, v. 10, n. 5, p. 1, doi. 10.1002/admi.202201904
- By:
- Publication type:
- Article
The Screening of Homo‐ and Hetero‐Dual Atoms Anchored Graphdiyne for Boosting Electrochemical CO<sub>2</sub> Reduction (Adv. Mater. Interfaces 5/2023)
- Published in:
- Advanced Materials Interfaces, 2023, v. 10, n. 5, p. 1, doi. 10.1002/admi.202201904
- By:
- Publication type:
- Article
Voriconazole Eye Drops: Enhanced Solubility and Stability through Ternary Voriconazole/Sulfobutyl Ether β-Cyclodextrin/Polyvinyl Alcohol Complexes.
- Published in:
- International Journal of Molecular Sciences, 2023, v. 24, n. 3, p. 2343, doi. 10.3390/ijms24032343
- By:
- Publication type:
- Article
Lichen-Derived Diffractaic Acid Inhibited Dengue Virus Replication in a Cell-Based System.
- Published in:
- Molecules, 2023, v. 28, n. 3, p. 974, doi. 10.3390/molecules28030974
- By:
- Publication type:
- Article
N -Containing α-Mangostin Analogs via Smiles Rearrangement as the Promising Cytotoxic, Antitrypanosomal, and SARS-CoV-2 Main Protease Inhibitory Agents.
- Published in:
- Molecules, 2023, v. 28, n. 3, p. 1104, doi. 10.3390/molecules28031104
- By:
- Publication type:
- Article
Expression and purification of human alpha-7 nicotinic acetylcholine receptor extracellular domain in Pichia pastoris.
- Published in:
- ScienceAsia, 2023, v. 49, n. 1, p. 8, doi. 10.2306/scienceasia1513-1874.2022.110
- By:
- Publication type:
- Article
In Silico and In Vitro Study of Janus Kinases Inhibitors from Naphthoquinones.
- Published in:
- Molecules, 2023, v. 28, n. 2, p. 597, doi. 10.3390/molecules28020597
- By:
- Publication type:
- Article
Daidzein Hydroxylation by CYP81E63 Is Involved in the Biosynthesis of Miroestrol in Pueraria mirifica.
- Published in:
- Plant & Cell Physiology, 2023, v. 64, n. 1, p. 64, doi. 10.1093/pcp/pcac140
- By:
- Publication type:
- Article
Quinoxalinones as A Novel Inhibitor Scaffold for EGFR (L858R/T790M/C797S) Tyrosine Kinase: Molecular Docking, Biological Evaluations, and Computational Insights.
- Published in:
- Molecules, 2022, v. 27, n. 24, p. 8901, doi. 10.3390/molecules27248901
- By:
- Publication type:
- Article
Design, synthesis, in vitro, in silico, and SAR studies of flavone analogs towards anti-dengue activity.
- Published in:
- Scientific Reports, 2022, v. 12, n. 1, p. 1, doi. 10.1038/s41598-022-25836-5
- By:
- Publication type:
- Article
Caffeic acid N-[3,5-bis(trifluoromethyl)phenyl] amide as a non-steroidal inhibitor for steroid 5α-reductase type 1 using a human keratinocyte cell-based assay and molecular dynamics.
- Published in:
- Scientific Reports, 2022, v. 12, n. 1, p. 1, doi. 10.1038/s41598-022-25335-7
- By:
- Publication type:
- Article
Eight Indole Alkaloids from the Roots of Maerua siamensis and Their Nitric Oxide Inhibitory Effects.
- Published in:
- Molecules, 2022, v. 27, n. 21, p. 7558, doi. 10.3390/molecules27217558
- By:
- Publication type:
- Article
Aurisin A Complexed with 2,6-Di- O -methyl-β-cyclodextrin Enhances Aqueous Solubility, Thermal Stability, and Antiproliferative Activity against Lung Cancer Cells.
- Published in:
- International Journal of Molecular Sciences, 2022, v. 23, n. 17, p. 9776, doi. 10.3390/ijms23179776
- By:
- Publication type:
- Article
Prediction of the Glass Transition Temperature in Polyethylene Terephthalate/Polyethylene Vanillate (PET/PEV) Blends: A Molecular Dynamics Study.
- Published in:
- Polymers (20734360), 2022, v. 14, n. 14, p. N.PAG, doi. 10.3390/polym14142858
- By:
- Publication type:
- Article
Theoretical studies on RNA recognition by Musashi 1 RNA-binding protein.
- Published in:
- Scientific Reports, 2022, v. 12, n. 1, p. 1, doi. 10.1038/s41598-022-16252-w
- By:
- Publication type:
- Article
Multi-Level Biological Network Analysis and Drug Repurposing Based on Leukocyte Transcriptomics in Severe COVID-19: In Silico Systems Biology to Precision Medicine.
- Published in:
- Journal of Personalized Medicine, 2022, v. 12, n. 7, p. 1030, doi. 10.3390/jpm12071030
- By:
- Publication type:
- Article
Integration of In Silico Strategies for Drug Repositioning towards P38α Mitogen-Activated Protein Kinase (MAPK) at the Allosteric Site.
- Published in:
- Pharmaceutics, 2022, v. 14, n. 7, p. N.PAG, doi. 10.3390/pharmaceutics14071461
- By:
- Publication type:
- Article
Identification of repurposing therapeutics toward SARS-CoV-2 main protease by virtual screening.
- Published in:
- PLoS ONE, 2022, v. 17, n. 6, p. 1, doi. 10.1371/journal.pone.0269563
- By:
- Publication type:
- Article
Theoretical study of metal-free catalytic for catalyzing CO-oxidation with a synergistic effect on P and N co-doped graphene.
- Published in:
- Scientific Reports, 2022, v. 12, n. 1, p. 1, doi. 10.1038/s41598-022-14286-8
- By:
- Publication type:
- Article
Semi-Synthesis of N -Aryl Amide Analogs of Piperine from Piper nigrum and Evaluation of Their Antitrypanosomal, Antimalarial, and Anti-SARS-CoV-2 Main Protease Activities.
- Published in:
- Molecules, 2022, v. 27, n. 9, p. 2841, doi. 10.3390/molecules27092841
- By:
- Publication type:
- Article
Fisetin glycosides synthesized by cyclodextrin glycosyltransferase from Paenibacillus sp. RB01: characterization, molecular docking, and antioxidant activity.
- Published in:
- PeerJ, 2022, p. 1, doi. 10.7717/peerj.13467
- By:
- Publication type:
- Article
Computational Screening of Newly Designed Compounds against Coxsackievirus A16 and Enterovirus A71.
- Published in:
- Molecules, 2022, v. 27, n. 6, p. 1908, doi. 10.3390/molecules27061908
- By:
- Publication type:
- Article