„docking“
Suchergebnisse
7.903 Treffer
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A structure-based virtual high-throughput screening, molecular docking, molecular dynamics and MM/PBSA study identified novel putative drug-like dual inhibitors of trypanosomal cruzain and rhodesain cysteine proteases
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Rapid Discovery of Aspartyl Protease Inhibitors Using an Anchoring Approach
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Tail approach synthesis of triazolylthiazolotriazole bearing benzenesulfonamides as carbonic anhydrase inhibitors capable of inducing apoptosis
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Structure‐guided identification of a selective sulfonamide‐based inhibitor targeting the human carbonic anhydrase VA isoform
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Heterocyclic and Alkyne Terpenoids by Terpene Synthase‐Mediated Biotransformation of Non‐Natural Prenyl Diphosphates: Access to New Fragrances and Probes
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\(\textit {Agrobacterium tumefaciens}\) small lipoprotein Atu8019 is involved in selective outer membrane vesicle (OMV) docking to bacterial cells
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Data of the molecular dynamics simulations of mutations in the human connexin46 docking interface
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Just-in-time logistics for far-distant suppliers: scheduling truck departures from an intermediate cross-docking terminal
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In silico structure-based screening of versatile P-glycoprotein inhibitors using polynomial empirical scoring functions
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Aziridide‐Based Inhibitors of Cathepsin L: Synthesis, Inhibition Activity, and Docking Studies
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Design and Synthesis of Quinazolinone Tagged Acridones as Cytotoxic Agents and Their Effects on EGFR Tyrosine Kinase
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DockStream: a docking wrapper to enhance de novo molecular design
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Copper Schiff base complex as a new immobilized heterogeneous catalyst: experimental, theoretical, biological and docking study
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Multidrug resistance protein P-gp interaction with nanoparticles (fullerenes and carbon nanotube) to assess their drug delivery potential: a theoretical molecular docking study.
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Three-dimensional quantitative structure-activity relationship and docking studies in a series of anthocyanin derivatives as cytochrome P450 3A4 inhibitors
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Dillenia indica L. Fruits as Pancreatic Lipase Inhibitors: Kinetics Study, Fluorescent Spectroscopy and Molecular Docking
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Theoretical Studies of Copper(II) Hydroxamate Complexes: Molecular Structures, HOMO–LUMO Study, Reactivity Descriptors, Spectral Analyses, and Molecular Docking Study
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Integrated network pharmacology, molecular docking, and animal experiments to reveal the potential mechanism of hesperetin on COPD
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Expanding the Horizon of Pteridine Chemistry: Optimized Synthesis by the Isay Reaction, and Molecular-Docking Studies
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Design and Optimization of Novel Pyrimidine-Morpholine Hybrids Through Computational Approaches for SRC Kinase Inhibitory Activity