Browse studies, page 623
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- Identification of chemically diverse GABAA agonists as potential anti-epileptic agents using structure-guided virtual screening, ADMET, quantum mechanics and clinical validation through off-target analysis International journal of biological macromolecules, 2018
- In vitro and in silico evaluation of twelve newly-synthesized 1-acetamide-5-methoxy-2-oxindoles as 5-Ht₇ receptor ligands Bioorganic & medicinal chemistry letters, 2015
- Computational chemistry approaches in studies on industrial enzymes Sheng wu gong cheng xue bao = Chinese journal of biotechnology, 2019
- Spectroscopic, Computational, Antimicrobial, DNA Interaction, In Vitro Anticancer and Molecular Docking Properties of Biochemically Active Cu(II) and Zn(II) Complexes of Pyrimidine-Ligand Journal of fluorescence, 2018
- Supramolecular insight into the substitution of sulfur by selenium, based on crystal structures, quantum-chemical calculations and biosystem recognition Acta crystallographica Section B, Structural science, crystal engineering and materials, 2020
- Methylation of Methyl 4-Hydroxy-2-thioxo-1,2-dihydroquinoline-3-carboxylate: Synthetic, Crystallographic, and Molecular Docking Studies Molecules (Basel, Switzerland), 2020
- Butyl methyl imidazolium silica sulfate (BMIm)SS: A novel hybrid nano-catalyst for highly efficient synthesis of new 1,2-diol monoesters of ibuprofen as the novel prodrugs of ibuprofen having potent analgesic property Bioorganic chemistry, 2021
- Quantum DFT analysis and molecular docking investigation of various potential breast cancer drugs Journal of materials chemistry. B, 2024
- Aggregation behavior of novel heptamethine cyanine dyes upon their binding to native and fibrillar lysozyme Molecular bioSystems, 2017
- Antibacterial activities of sulfamethoxazolyl-azo-phenols and their Cu(II) complexes along with molecular docking properties Journal of biological inorganic chemistry : JBIC : a publication of the Society of Biological Inorganic Chemistry, 2017
- Exploring PfDHFR reaction surface: A combined molecular dynamics and QM/MM analysis Journal of molecular graphics & modelling, 2019
- Quantum Chemical and Docking Insights into Bioavailability Enhancement of Curcumin by Piperine in Pepper The journal of physical chemistry. A, 2016
- Application of molecular docking and ONIOM methods for the description of interactions between anti-quorum sensing active (AHL) analogues and the Pseudomonas aeruginosa LasR binding site Molecular bioSystems, 2014
- Biochemical and pharmacological evaluation of 4-hydroxychromen-2-ones bearing polar C-3 substituents as anticoagulants European journal of medicinal chemistry, 2012
- Reaction Mechanism of Isopentenyl Phosphate Kinase: A QM/MM Study The journal of physical chemistry. B, 2017
- Preparation and characterizations of solid/aqueous phases inclusion complex of 2,4-dinitroaniline with β-cyclodextrin Carbohydrate polymers, 2014
- Density Functional Theory and Molecular Simulation Studies for Prioritizing Anaplastic Lymphoma Kinase Inhibitors Applied biochemistry and biotechnology, 2020
- Evaluation of 2-indolcarbohydrazones as potent α-glucosidase inhibitors, in silico studies and DFT based stereochemical predictions Bioorganic chemistry, 2015
- Deciphering the mechanism of interaction of edifenphos with calf thymus DNA. Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2018
- Combined MD/QTAIM techniques to evaluate ligand-receptor interactions. Scope and limitations European journal of medicinal chemistry, 2020
- Quantum chemical insight into molecular structure, NBO analysis of the hydrogen-bonded interactions, spectroscopic (FT-IR, FT-Raman), drug likeness and molecular docking of the novel anti COVID-19 molecule 2-[(4,6-diaminopyrimidin-2-yl)sulfanyl]-N-(4-fluorophenyl)acetamide - dimer Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2021
- Aromatic interactions at the ligand-protein interface: Implications for the development of docking scoring functions Chemical biology & drug design, 2018
- In silico characterization of enantioselective molecularly imprinted binding sites Journal of molecular recognition : JMR, 2018
- Quantum Chemistry-Based Protein-Protein Docking without Empirical Parameters Journal of chemical theory and computation, 2024
- Computational modelling of supramolecular metallopeptide assemblies Methods in enzymology, 2024
- Electronic structure, dielectric response, and surface charge distribution of RGD (1FUV) peptide Scientific reports, 2014
- Organotellurium(IV) complexes disrupt microbes via quantum insights into antioxidant and antimicrobial activity Future medicinal chemistry, 2025
- Design, synthesis of novel azolyl flavonoids and their protein tyrosine Phosphatase-1B inhibitory activities Bioorganic chemistry, 2018
- In silico and in vitro studies of transition metal complexes derived from curcumin-isoniazid Schiff base Journal of biomolecular structure & dynamics, 2020
- Theoretical insight into the mechanism for the inhibition of the cysteine protease cathepsin B by 1,2,4-thiadiazole derivatives Journal of molecular modeling, 2014
- Designed benzothiadiazole fluorophores for selective mitochondrial imaging and dynamics Chemistry (Weinheim an der Bergstrasse, Germany), 2014
- A fluorescent sensor for discrimination of HSA from BSA through selectivity evolution Analytica chimica acta, 2018
- Mechanistic Insights into the Formation of the 6,10-Bicyclic Eunicellane Skeleton by the Bacterial Diterpene Synthase Bnd4 Angewandte Chemie (International ed. in English), 2021
- Vibrational spectroscopic studies and molecular docking study of 2-[(E)-2-phenylethenyl]quinoline-5-carboxylic acid Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2015
- Bioluminescent Nanoluciferase-Furimamide Complex: A Theoretical Study on Different Protonation States The journal of physical chemistry. B, 2020
- Deciphering the Molecular Details of the Lipoxin Formation Mechanism in the 5(S),15(S)-DiHpETE Biosynthetic Pathway Catalyzed by Reticulocyte 15-Lipoxygenase-1 The journal of physical chemistry. B, 2020
- Mechanism of Phosphatidylglycerol Activation Catalyzed by Prolipoprotein Diacylglyceryl Transferase The journal of physical chemistry. B, 2019
- Tofacitinib and peficitinib inhibitors of Janus kinase for autoimmune disease treatment: a quantum biochemistry approach Physical chemistry chemical physics : PCCP, 2024
- Catalytic mechanism of mevalonate kinase revisited, a QM/MM study Organic & biomolecular chemistry, 2019
- Mechanism of Uncoupled Carbocyclization and Epimerization Catalyzed by Two Non-Heme Iron/α-Ketoglutarate Dependent Enzymes Journal of chemical information and modeling, 2019
- Computational repurposing of benzimidazole anthelmintic drugs as potential colchicine binding site inhibitors Future medicinal chemistry, 2021
- First principles potential for the cytosine dimer Physical chemistry chemical physics : PCCP, 2015
- Grid-Based Technologies for In Silico Screening and Drug Design Current medicinal chemistry, 2018
- Pharmacoinformatic approaches to understand complexation of dendrimeric nanoparticles with drugs Nanoscale, 2014
- Molecular Modeling Studies on the Multistep Reactivation Process of Organophosphate-Inhibited Acetylcholinesterase and Butyrylcholinesterase Biomolecules, 2021
- GemSpot: A Pipeline for Robust Modeling of Ligands into Cryo-EM Maps Structure (London, England : 1993), 2020
- Computational Approaches: An Underutilized Tool in the Quest to Elucidate Radical SAM Dynamics Molecules (Basel, Switzerland), 2021
- Computational insights into function and inhibition of fatty acid amide hydrolase European journal of medicinal chemistry, 2015
- Molecular mechanisms of pharmaceutical drug binding into calsequestrin International journal of molecular sciences, 2012
- Substrate-Assisted and Enzymatic Pretransfer Editing of Nonstandard Amino Acids by Methionyl-tRNA Synthetase Biochemistry, 2015
- Combined Inhibitory Effects of Citrinin, Ochratoxin-A, and T-2 Toxin on Aquaporin-2 The journal of physical chemistry. B, 2019
- Polyphenol fatty acid esters as serine protease inhibitors: a quantum-chemical QSAR analysis Journal of enzyme inhibition and medicinal chemistry, 2012
- Macromolecular structure comparison and docking: an algorithmic review Current pharmaceutical design, 2013
- Computational and Experimental Binding Mechanism of DNA-drug Interactions Current pharmaceutical design, 2018
- On-the-Fly QM/MM Docking with Attracting Cavities Journal of chemical information and modeling, 2017
- Multiscale Molecular Modeling in G Protein-Coupled Receptor (GPCR)-Ligand Studies Biomolecules, 2020
- On the Binding of Congo Red to Amyloid Fibrils Angewandte Chemie (International ed. in English), 2020
- In vitro effects of nanoparticles on renal cells Particle and Fibre Toxicology, 2008
- Quantal Neurotransmitter Secretion Rate Exhibits Fractal Behavior Journal of Neuroscience, 1997
- Quantum Tunneling Determines Life's Survival... Demonstration of Cell Repair Mechanisms Zenodo (CERN European Organization for Nuclear Research), 2026
- Recent advances in non-toxic quantum dots and their biomedical applications Progress in Natural Science Materials International, 2019
- Hybrid Quantum Neural Network for Drug Response Prediction Cancers, 2023
- Gold quantum dots impair the tumorigenic potential of glioma stem-like cells via β-catenin downregulation in vitro Dove Medical Press (Taylor and Francis Group), 2019
- Review—Quantum Biosensors: Principles and Applications in Medical Diagnostics ECS Sensors Plus, 2024
- Quantum monitoring of cellular metabolic activities in single mitochondria Science Advances, 2021
- Transient Entanglement in Microtubule Lattices: A Quantum-Physics-Informed Hypothesis for Cognitive Enhancement via Glutamatergic Plasticity and Microtubule Stabilization Figshare, 2026
- Quantum drug discovery: a hybrid quantum graph neural network–variational quantum eigensolver framework for serine neutralization The European Physical Journal D, 2025
- Characterizing the Quantum-Confined Stark Effect in Semiconductor Quantum Dots and Nanorods for Single-Molecule Electrophysiology ACS Photonics, 2018
- An Overview on Carbon Quantum Dots Optical and Chemical Features Molecules, 2023
- The physics of life: one molecule at a time Philosophical Transactions of the Royal Society B Biological Sciences, 2012
- Quantum Dots in Biological and Biomedical Research: Recent Progress and Present Challenges Advanced Materials, 2006
- Multifunctional quantum dots and liposome complexes in drug delivery Journal of Biomedical Research, 2017
- Diamond quantum thermometry: from foundations to applications Nanotechnology, 2021
- Skin-derived mesenchymal stem cells as quantum dot vehicles to tumors DOAJ (DOAJ: Directory of Open Access Journals), 2017
- A review on quantum dots (QDS) Journal of Advanced Scientific Research, 2022
- On Bayesian mechanics: a physics of and by beliefs Interface Focus, 2023
- Carbon Quantum Dots for Bioimaging InTech eBooks, 2018
- Quantum Beat of Excitons in the Prolate Ellipsoidal Quantum Dots Journal of Nanomaterials, 2022
- Graphene quantum dots: A comprehensive overview Open Chemistry, 2023
- A review on advancements in carbon quantum dots and their application in photovoltaics RSC Advances, 2022
- Biological evolution and statistical physics Advances In Physics, 2001
- Near-infrared quantum dots for HER2 localization and imaging of cancer cells DOAJ (DOAJ: Directory of Open Access Journals), 2014
- Quantum Dots: An Emerging Approach for Cancer Therapy Frontiers in Materials, 2022
- Optical Fiber Sensing Using Quantum Dots Sensors, 2007
- Recent Advances on Graphene Quantum Dots for Bioimaging Applications Frontiers in Chemistry, 2020
- Pharmaceutical and biomedical applications of quantum dots Artificial Cells Nanomedicine and Biotechnology, 2015
- Graphene quantum dots in biomedical applications: Recent advances and future challenges Frontiers in Laboratory Medicine, 2017
- An Examination of Quantum Information Processing Through Quantum Cryptography; A study Journal on Applied and Chemical Physics, 2022
- Quantum in Biology, Quantum for Biology, and Biology for Quantum: Mapping the Evidence and the Road Ahead arXiv (Cornell University), 2026
- Review: Biofunctionalized Quantum Dots in Biology and Medicine Journal of Nanomaterials, 2009
- Synthesis of graphene quantum dots and their applications in drug delivery Journal of Nanobiotechnology, 2020
- Carbon Quantum Dots: Properties, Preparation, and Applications Molecules, 2024
- Quantum Dots — Characterization, Preparation and Usage in Biological Systems International Journal of Molecular Sciences, 2009
- In vitro singlet state and zero-quantum encoded magnetic resonance spectroscopy: Illustration with N-acetyl-aspartate PLoS ONE, 2020
- The physics, biophysics and technology of photodynamic therapy Physics in Medicine and Biology, 2008
- Experimental Research on the Vitro Inactivation of HL60 Cells Based on CdTe and CdSe Quantum Dots Hans Journal of Biomedicine, 2012
- Entrapment in phospholipid vesicles quenches photoactivity of quantum dots DOAJ (DOAJ: Directory of Open Access Journals), 2011
- Quantum Electrodynamics Coherence and Hormesis: Foundations of Quantum Biology International Journal of Molecular Sciences, 2023
- Quantum dot labeling of mesenchymal stem cells Journal of Nanobiotechnology, 2007
- Nanowire‐based integrated photonics for quantum information and quantum sensing Nanophotonics, 2023
