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Protein-ligand binding affinity prediction using multi-instance learning with docking structures.
- Published in:
- Frontiers in Pharmacology, 2025, p. 1, doi. 10.3389/fphar.2024.1518875
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- Article
轨道车辆水性漆耐人工老化可靠性的研究.
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- Applied Chemical Industry, 2024, v. 53, n. 11, p. 2635
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- Article
基于 NOAH 技术的二维核磁共振应用.
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- Experimental Technology & Management, 2024, v. 41, n. 12, p. 7, doi. 10.16791/j.cnki.sjg.2024.12.002
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- Article
IN SILICO AND DFT ANALYSIS OF A NEW MESO-SUBSTITUTED PORPHYRIN DERIVATIVE.
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- Mugla Journal of Science & Technology, 2024, v. 10, n. 2, p. ur, doi. 10.22531/muglajsci.1551084
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- Article
The effects of long-term rice straw and biochar return on soil humus composition and structure in paddy soil.
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- Plant, Soil & Environment, 2024, v. 70, n. 12, p. 772, doi. 10.17221/179/2024-PSE
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- Article
飞秒激光赋能液晶光子学.
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- Chinese Journal of Liquid Crystal & Displays, 2024, v. 39, n. 12, p. 1612, doi. 10.37188/CJLCD.2024-0266
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- Article
非手性 β-甲基丁基多联苯异硫氰酸酯液晶 合成及高频介电性能.
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- Chinese Journal of Liquid Crystal & Displays, 2024, v. 39, n. 12, p. 1735, doi. 10.37188/CJLCD.2024-0280
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- Article
MultiChem: predicting chemical properties using multi-view graph attention network.
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- BioData Mining, 2025, v. 18, n. 1, p. 1, doi. 10.1186/s13040-024-00419-4
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- Article
Homo- and heteronuclear complexes derived from N-picoline-functionalized benzimidazolin-2-ylidene ligands.
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- Zeitschrift für Naturforschung B: A Journal of Chemical Sciences, 2024, v. 79, n. 12, p. 695, doi. 10.1515/znb-2024-0090
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- Article
Virtual Screening of Ligands Targeting Dentin Sialophosphoprotein (DSPP) to Analyse the Binding Affinity of Root Resorption Markers - An in Silico Study.
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- Journal of International Dental & Medical Research, 2024, v. 17, n. 4, p. 1464
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- Article
Synthesis and structural insights of bis(2-methoxy-6-{[(2-methylpropyl)imino]methyl}phenolato) nickel (II) complex through DFT and docking investigations.
- Published in:
- Scientific Reports, 2025, v. 15, n. 1, p. 1, doi. 10.1038/s41598-025-85465-6
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- Article
Self-healing properties of SBS-modified asphalt from the material composition perspective incorporating the influence of weathering aging.
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- International Journal of Pavement Engineering, 2024, v. 25, n. 1, p. 1, doi. 10.1080/10298436.2024.2429003
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- Article
Effects of aromatic oils on the structural and physicochemical properties of rubberised asphalt based on molecular simulations.
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- International Journal of Pavement Engineering, 2024, v. 25, n. 1, p. 1, doi. 10.1080/10298436.2024.2358490
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- Article
Unlocking the potential of epoxy binders for efficient reclaimed asphalt pavement recycling: an experimental and molecular simulation study.
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- International Journal of Pavement Engineering, 2024, v. 25, n. 1, p. 1, doi. 10.1080/10298436.2024.2356230
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- Article
Design of SBS molecular structure and contribution mechanism from its soft and hard segments to modify asphalt.
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- International Journal of Pavement Engineering, 2024, v. 25, n. 1, p. 1, doi. 10.1080/10298436.2024.2345140
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- Article
Effect of phenyl functional groups on the adsorption behaviour of dodecyl anionic emulsifiers on oxides on the aggregate surface.
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- International Journal of Pavement Engineering, 2024, v. 25, n. 1, p. 1, doi. 10.1080/10298436.2024.2303662
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- Article
改性双基推进剂机械感度的预测方法.
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- Chinese Journal of Explosives & Propellants, 2024, v. 47, n. 11, p. 1039, doi. 10.14077/j.issn.1007-7812.202312015
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- Article
Synthesis and structural, morphological, and chimico-optical properties of Sr<sub>2</sub>FeO<sub>4</sub> Ruddlesden-Popper oxide.
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- European Physical Journal - Applied Physics, 2024, v. 99, p. 1, doi. 10.1051/epjap/2024240024
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- Article
Research progress on the extraction, purification, structural features, and bioactivity of polysaccharides from Polygonatum rhizoma.
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- China Food Additives, 2025, v. 36, n. 1, p. 161, doi. 10.19804/j.issn1006-2513.2025.1.023
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- Article
Construction of CeRNA Regulatory Network Based on WGCNA to Reveal Potential Prognostic Biomarkers for AML Cancer.
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- International Journal of Cancer Management, 2024, v. 17, n. 1, p. 1, doi. 10.5812/ijcm-147476
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- Article
Post-transplant cyclophosphamide-induced cardiotoxicity: A comprehensive review.
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- Journal of Cardiovascular & Thoracic Research, 2024, v. 16, n. 4, p. 211, doi. 10.34172/jcvtr.33230
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- Article
聚合物纳米复合增黏剂的制备.
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- Drilling Fluid & Completion Fluid, 2024, v. 41, n. 6, p. 736, doi. 10.12358/j.issn.1001-5620.2024.06.005
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- Article
QSAR Based Drug Repurposing: A New Paradigm in Breast Cancer Research.
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- Indian Journal of Pharmaceutical Education & Research, 2024, v. 58, n. 3, p. 695, doi. 10.5530/ijper.58.3.78
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- Article
Hydrazine-based Schiff base complexes of nickel/copper(II): synthesis, molecular and supramolecular, thermal, electrochemical, antibacterial, and computational studies.
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- Journal of Coordination Chemistry, 2024, v. 77, n. 20/21, p. 2487, doi. 10.1080/00958972.2024.2428323
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- Article
Synthesis, structure, and solution chemistry of mixed-ligand oxidovanadium(IV) complexes incorporating ONO donor hydrazone ligands.
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- Journal of Coordination Chemistry, 2024, v. 77, n. 20/21, p. 2376, doi. 10.1080/00958972.2024.2420899
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- Article
Identification and Characterization of a Protease Producing Bacillus cereus Strain From Tannery Waste for Efficient Dehairing of Goat Skin.
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- BioMed Research International, 2025, v. 2025, p. 1, doi. 10.1155/bmri/7639181
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- Article
Insights into structural vaccinology harnessed for universal coronavirus vaccine development.
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- Clinical & Experimental Vaccine Research, 2024, v. 13, n. 3, p. 202, doi. 10.7774/cevr.2024.13.3.202
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- Article
Synthesis and characterization of allomelanin model from 1,8-dihydroxynaphthalene autooxidation.
- Published in:
- Scientific Reports, 2025, v. 15, n. 1, p. 1, doi. 10.1038/s41598-024-84405-0
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- Article
Sulfur chains glass formed by fast compression.
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- Nature Communications, 2025, v. 16, n. 1, p. 1, doi. 10.1038/s41467-024-55028-w
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- Article
Jianwei Xiaoshi oral liquid attenuates high-calorie diet-induced dyspepsia in immature rats via regulating the pancreatic secretion pathway and maintaining the homeostasis of intestinal microbiota.
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- Chinese Medicine, 2025, v. 20, n. 1, p. 1, doi. 10.1186/s13020-024-01052-3
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- Article
Two-dimensional cell membrane chromatography guided screening of myocardial protective compounds from Yindan Xinnaotong soft capsule.
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- Chinese Medicine, 2025, v. 20, n. 1, p. 1, doi. 10.1186/s13020-024-01046-1
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- Article
橡胶减振器的失效评价研究.
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- China Rubber Industry, 2024, v. 71, n. 12, p. 934, doi. 10.12136/j.issn.1000-890X.2024.12.0934
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- Article
Improving signal-to-noise ratio of Raman measurements based on ensemble learning approach: Improving signal-to-noise ratio of Raman measurements based on ensemble learning approach: Y. Jia et al.
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- Analytical & Bioanalytical Chemistry, 2025, v. 417, n. 3, p. 641, doi. 10.1007/s00216-024-05676-0
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- Article
Tuning Reaction Kinetics of Fluorinated Molecules to Construct Robust Solid Electrolyte Interphases on SiO<sub>x</sub> Anode.
- Published in:
- Angewandte Chemie, 2025, v. 137, n. 1, p. 1, doi. 10.1002/ange.202413927
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- Article
Photomodulation of Charge Transfer through Excited‐State Processes: Directing Donor‐Acceptor Binding Dynamics.
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- Angewandte Chemie, 2025, v. 137, n. 1, p. 1, doi. 10.1002/ange.202412790
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- Article
Lighting Up Bispyrene‐Functionalized Chiral Molecular Muscles with Switchable Circularly Polarized Excimer Emissions.
- Published in:
- Angewandte Chemie, 2025, v. 137, n. 1, p. 1, doi. 10.1002/ange.202412548
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- Article
Progress in Non‐Fullerene Acceptors: Evolution from Small to Giant Molecules.
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- ChemSusChem, 2025, v. 18, n. 1, p. 1, doi. 10.1002/cssc.202401138
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- Article
Schisandrin a Ameliorates Cardiac Injury and Dysfunction Induced by Hemorrhagic Shock via Activating the Nrf2 Signaling Pathway.
- Published in:
- American Journal of Chinese Medicine, 2024, v. 52, n. 8, p. 2453, doi. 10.1142/S0192415X24500939
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- Article
The Traditional Applications, Phytochemistry, Pharmacology, Pharmacokinetics, Quality Control and Safety of Paeoniae Radix Alba: A Review.
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- American Journal of Chinese Medicine, 2024, v. 52, n. 8, p. 2337, doi. 10.1142/S0192415X24500897
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- Article
Computing Degree-Based Topological Descriptors of Certain Tessellations of Kekulenes Using M-Polynomial and Neighborhood M-Polynomial.
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- Polycyclic Aromatic Compounds, 2025, v. 45, n. 1, p. 36, doi. 10.1080/10406638.2024.2384901
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- Article
基于分子模拟的降混剂分子设计与混相作用.
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- Oilfield Chemistry, 2024, v. 41, n. 4, p. 671, doi. 10.19346/j.cnki.1000-4092.2024.04.014
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Highlights from Microscopy and Microanalysis.
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- Microscopy Today, 2024, v. 32, n. 6, p. 70, doi. 10.1093/mictod/qaae097
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- Article
Challenges Associated With PFAS Detection Method in Africa.
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- Environmental Health Insights, 2025, p. 1, doi. 10.1177/11786302241310430
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- Article
Molecular docking reveals fibrinogen binding sites on SARS-CoV-2 spike protein: A potential mechanism for COVID-19-related coagulation.
- Published in:
- Medicine Science, 2024, v. 13, n. 4, p. 803, doi. 10.5455/medscience.2024.08.099
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- Article
Network pharmacology and molecular docking to explore mechanisms of clozapine-induced cardiac arrest.
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- Journal of Psychiatry & Neuroscience, 2025, v. 50, n. 1, p. E1, doi. 10.1503/jpn.240065
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- Article
Hydrogen Bond Integration in Potato Microstructure: Effects of Water Removal, Thermal Treatment, and Cooking Techniques.
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- Polysaccharides (2673-4176), 2024, v. 5, n. 4, p. 609, doi. 10.3390/polysaccharides5040039
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- Article
Effects of Bacterial Enzyme Cooperative Fermentation Diet on Growth Performance, Blood Biochemical Indices, and Fecal Microflora of Growing–Finishing Pigs.
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- Fermentation (Basel), 2024, v. 10, n. 12, p. 610, doi. 10.3390/fermentation10120610
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- Article
A Critical Look at Density Functional Theory in Chemistry: Untangling Its Strengths and Weaknesses.
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- Atoms (2218-2004), 2024, v. 12, n. 12, p. 65, doi. 10.3390/atoms12120065
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- Article
Ni(II) and Cu(II) Ion Coordination by the Novel (2 E ,2′ E)- N , N ′-(2-Hydroxypropane-1,3-diyl) bis [(2-hydroxyimino)propanamide] Ligand in the Solid State and in Aqueous Medium.
- Published in:
- Inorganics, 2024, v. 12, n. 12, p. 330, doi. 10.3390/inorganics12120330
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Hydrogen Bonds, Halogen Bonds, and Other Non-Covalent Interactions in a Series of Iodocymantrenes [Mn(C 5 I n H 5− n)(CO) 2 L], L = CO, PPh 3 , and n = 1–5.
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- Inorganics, 2024, v. 12, n. 12, p. 305, doi. 10.3390/inorganics12120305
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- Article