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Applying molecular docking to pesticides

https://doi.org/10.1002/ps.7700
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Molecular docking towards drug discovery
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Direct search methods for the molecular conformation problem
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Latest developments in molecular docking: 2010–2011 in review
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A Comparative Study on the Constitutive Properties of Marketed Pesticides
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Improved protein–ligand docking using GOLD
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FLIPDock: Docking flexible ligands into flexible receptors
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Machine‐learning scoring functions for structure‐based drug lead optimization
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A Fast Flexible Docking Method using an Incremental Construction Algorithm
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Knowledge-based scoring function to predict protein-ligand interactions
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FlexE: efficient molecular docking considering protein structure variations
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Virtual Screening: An Alternative or Complement to High Throughput Screening?
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Surflex-Dock: Docking benchmarks and real-world application
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Synthesis, Characterization, Biological Evaluation and Docking Study of Heterocyclic-Based Synthetic Sulfonamides as Potential Pesticide Against G. mellonella
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ePlant for quantitative and predictive plant science research in the big data era —Lay the foundation for the future model guided crop breeding, engineering and agronomy
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Progress in molecular docking
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Docking-based inverse virtual screening: methods, applications, and challenges
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Pesticide informatics expands the opportunity for structure-based molecular design and optimization
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Bio-inspired optimization for the molecular docking problem: State of the art, recent results and perspectives
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Single and joint toxicity assessment of acetamiprid and thiamethoxam neonicotinoids pesticides on biochemical indices and antioxidant enzyme activities of a freshwater fish Catla catla
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The Process of Structure-Based Drug Design
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From machine learning to deep learning: progress in machine intelligence for rational drug discovery
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Machine learning in chemoinformatics and drug discovery
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Machine-learning methods for ligand–protein molecular docking
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Toxicity of chemical pesticides commonly used in maize to Trichogramma ostriniae (Hymenoptera: Trichogrammatidae), an egg parasitoid of Asian corn borer
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Conformational Changes Observed in Enzyme Crystal Structures upon Substrate Binding
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eHiTS: A new fast, exhaustive flexible ligand docking system
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Application of reverse docking for target prediction of marine compounds with anti-tumor activity
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Discovery of novel HPPD inhibitors based on a combination strategy of pharmacophore, consensus docking and molecular dynamics
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Interaction of p53 with BRC analogs: A comparative design assisted by ZDOCK and CABS-Dock simulation
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Status of pesticide resistance and associated mutations in the two-spotted spider mite, Tetranychus urticae, in China
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Virtual screening based on pharmacophore model for developing novel HPPD inhibitors
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A new method for predicting the acute toxicity of carbamate pesticides based on the perspective of binding information with carrier protein
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Interaction of mancozeb with human hemoglobin: Spectroscopic, molecular docking and molecular dynamic simulation studies
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Flexible protein–protein docking
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Protein structure-based drug design: from docking to molecular dynamics
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Binding of Small-Molecule Ligands to Proteins: “What You See” Is Not Always “What You Get”
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Beware of docking!
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Structure based virtual screening to discover putative drug candidates: Necessary considerations and successful case studies
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Consensus scoring for ligand/protein interactions
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LigandFit: a novel method for the shape-directed rapid docking of ligands to protein active sites
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A new method for mapping macromolecular topography
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Lead discovery using molecular docking
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Synthesis and Insecticidal Activity Evaluation of Virtually Screened Phenylsulfonamides
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Detection and Biological Characteristics of Alternaria alternata Resistant to Difenoconazole from Paris polyphylla var. chinensis, an Indigenous Medicinal Herb
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Graph Learning: A Survey
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Recent developments in molecular docking technology applied in food science: a review
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inferredcites →https://doi.org/10.2174/156802608786786624openalex-snapshot
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inferredcites →https://doi.org/10.3389/fmicb.2017.00465openalex-snapshot
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inferredcites →https://doi.org/10.3389/fphar.2018.01089openalex-snapshot
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Pesticides in the Modern World - Risks and Benefits

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