Browse studies, page 665
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- Quantifying the Binding Interaction between the Hypoxia-Inducible Transcription Factor and the von Hippel-Lindau Suppressor Journal of chemical theory and computation, 2015
- Energetic stabilities of thiolated pyrimidines on gold nanoparticles investigated by Raman spectroscopy and density functional theory calculations Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2015
- MHCBI: a pipeline for calculating peptide-MHC binding energy using semi-empirical quantum mechanical methods with explicit/implicit solvent models Briefings in bioinformatics, 2021
- Quantum mechanical approaches and molecular docking studies of platinum based anticancer drugs Satraplatin and picoplatin structures Biochemical and biophysical research communications, 2024
- Multifunctional Self-Assembled Supernanoparticles for Deep-Tissue Bimodal Imaging and Amplified Dual-Mode Heating Treatment ACS nano, 2019
- Understanding the Rate-Limiting Step of Glycogenolysis by Using QM/MM Calculations on Human Glycogen Phosphorylase ChemMedChem, 2018
- Explaining statin inhibition effectiveness of HMG-CoA reductase by quantum biochemistry computations Physical chemistry chemical physics : PCCP, 2012
- Systematic Evaluation of Counterpoise Correction in Density Functional Theory Journal of chemical theory and computation, 2022
- The photoprotection mechanism in the black-brown pigment eumelanin Proceedings of the National Academy of Sciences of the United States of America, 2022
- Quinone-Modified Mn-Doped ZnS Quantum Dots for Room-Temperature Phosphorescence Sensing of Human Cancer Cells That Overexpress NQO1 ACS applied materials & interfaces, 2015
- Innovative computational approaches in drug discovery and design Advances in pharmacology (San Diego, Calif.), 2025
- Ranking Reversible Covalent Drugs: From Free Energy Perturbation to Fragment Docking Journal of chemical information and modeling, 2019
- Role of Carbonyl Compounds for N-Nitrosamine Formation during Nitrosation: Kinetics and Mechanisms Environmental science & technology, 2024
- Color tuning in photofunctional proteins Chemphyschem : a European journal of chemical physics and physical chemistry, 2011
- Energy subtraction angiography is comparable to digital subtraction angiography in terms of iodine Rose SNR. Medical physics, 2016
- DFT studies on N-(1-(2-bromobenzoyl)-4-cyano-1H-pyrazol-5-yl) Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2024
- Electron-paramagnetic-resonance studies on cobalt(II) carbonic anhydrase-sulphonamide complexes The Biochemical journal, 1974
- Lethal and mutagenic bystander effects in human fibroblast cell cultures subjected to low-energy-carbon ions International journal of radiation biology, 2020
- Pharmacophore-Based Virtual Screening, Quantum Mechanics Calculations, and Molecular Dynamics Simulation Approaches Identified Potential Natural Antiviral Drug Candidates against MERS-CoV S1-NTD. Molecules (Basel, Switzerland), 2021
- Nanoparticles as energy donors and acceptors in bionanohybrid systems Acta biochimica Polonica, 2019
- An accurate method for computer-generating tungsten anode x-ray spectra from 30 to 140 kV. Medical physics, 1997
- Quantum mechanics of excitation transport in photosynthetic complexes: a key issues review Reports on progress in physics. Physical Society (Great Britain), 2015
- Effect of sampling on BACE-1 ligands binding free energy predictions via MM-PBSA calculations Journal of computational chemistry, 2017
- Technical characterization of five x-ray detectors for paediatric radiography applications Physics in medicine and biology, 2017
- A phase sensitive x-ray breast tomosynthesis system: Preliminary patient images with cancer lesions Physics in medicine and biology, 2021
- Semiconductor nanoparticles as energy mediators for photosensitizer-enhanced radiotherapy International journal of radiation oncology, biology, physics, 2008
- Role of aromatic amino acids in amyloid self-assembly International journal of biological macromolecules, 2020
- Insights into the EGFR SAR of N-phenylquinazolin-4-amine-derivatives using quantum mechanical pairwise-interaction energies Journal of computer-aided molecular design, 2019
- Protocol for rational design of covalently interacting inhibitors Chemphyschem : a European journal of chemical physics and physical chemistry, 2014
- Matter, mind and consciousness: from information to meaning Journal of integrative neuroscience, 2020
- Assessment of the spectral performance of hybrid photon counting x-ray detectors Medical physics, 2017
- Protective Effects of [6]-Gingerol Against Chemical Carcinogens: Mechanistic Insights International journal of molecular sciences, 2020
- PINE: Post-Quantum Based Incentive Technique for Non-Cooperating Nodes in Internet of Everything Sensors (Basel, Switzerland), 2022
- A Computational Protocol for Vibrational Circular Dichroism Spectra of Cyclic Oligopeptides The journal of physical chemistry. A, 2022
- Niche nanoparticle-based FRET assay for bleomycin detection via DNA scission Biosensors & bioelectronics, 2016
- Molecular mechanical study of halogen bonding in drug discovery Journal of computational chemistry, 2011
- Bioluminescence Resonance Energy Transfer (BRET) Coupled Near-Infrared Imaging of Apoptotic Cells Methods in molecular biology (Clifton, N.J.), 2020
- Modeling Zn²⁺ release from metallothionein The journal of physical chemistry. A, 2014
- Theoretical Study of Structure and Photophysics of Homologous Series of Bis(arylydene)cycloalkanones International journal of molecular sciences, 2023
- Small Heterocyclic Ligands as Anticancer Agents: QSAR with a Model G-Quadruplex Molecules (Basel, Switzerland), 2022
- Molecular mechanism of chromogenic substrate hydrolysis in the active site of human carboxylesterase-1 Biomeditsinskaia khimiia, 2021
- Theoretical Study of Protein-Ligand Interactions Using the Molecules-in-Molecules Fragmentation-Based Method Journal of chemical theory and computation, 2018
- The art of atom descriptor design Drug discovery today. Technologies, 2019
- Ion-Switchable Quantum Dot Förster Resonance Energy Transfer Rates in Ratiometric Potassium Sensors ACS nano, 2016
- Quantum dots-based fluorescence resonance energy transfer biosensor for monitoring cell apoptosis Luminescence : the journal of biological and chemical luminescence, 2017
- A review of current research in microwave resonance therapy: novel opportunities in medical treatment Acupuncture & electro-therapeutics research, 1999
- Are we close to a theory of energy medicine? Journal of alternative and complementary medicine (New York, N.Y.), 2004
- Molecular orbitals of delocalized electron clouds in neuronal domains Bio Systems, 2019
- A Quantum Dot Nanobiosensor for Rapid Detection of Botulinum Neurotoxin Serotype E. ACS sensors, 2020
- Quantum mechanics study of the hydroxyethylamines-BACE-1 active site interaction energies Journal of computer-aided molecular design, 2011
- Interaction of Globular Plasma Proteins with Water-Soluble CdSe Quantum Dots Chemphyschem : a European journal of chemical physics and physical chemistry, 2015
- High-performance porphyrin-like graphene quantum dots for immuno-sensing of Salmonella typhi Biosensors & bioelectronics, 2021
- Investigating Polyoxometalate-Protein Interactions at Chemically Distinct Binding Sites The journal of physical chemistry. B, 2018
- Isomer Engineering of Lepidine-Based Iridophosphors for Far-Red Hypoxia Imaging and Photodynamic Therapy Inorganic chemistry, 2022
- The QBIT Theory of Consciousness Integrative psychological & behavioral science, 2020
- Light-responsive and Protic Ruthenium Compounds Bearing Bathophenanthroline and Dihydroxybipyridine Ligands Achieve Nanomolar Toxicity towards Breast Cancer Cells Photochemistry and photobiology, 2022
- QM/MM methods for free energies and photochemistry Current opinion in structural biology, 2018
- Quantum Mechanical Assessment of Nitrosamine Potency Chemical research in toxicology, 2024
- Remdesivir analogs against SARS-CoV-2 RNA-dependent RNA polymerase Journal of biomolecular structure & dynamics, 2022
- Converting SMILES to Stacking Interaction Energies Journal of chemical information and modeling, 2019
- Novel Inhibitors of 2'-O-Methyltransferase of the SARS-CoV-2 Coronavirus Molecules (Basel, Switzerland), 2022
- Mathematical estimation of half-value layer thicknesses Journal of applied clinical medical physics, 2021
- Comparative Interaction Studies of Quercetin with 2-Hydroxyl-propyl-β-cyclodextrin and 2,6-Methylated-β-cyclodextrin Molecules (Basel, Switzerland), 2022
- Remdesivir: Mechanism of Metabolic Conversion from Prodrug to Drug Current drug metabolism, 2022
- Computational Analysis and Biological Activities of Oxyresveratrol Analogues, the Putative Cyclooxygenase-2 Inhibitors Molecules (Basel, Switzerland), 2022
- Computational Tools To Model Halogen Bonds in Medicinal Chemistry Journal of medicinal chemistry, 2016
- In silico investigation of mitragynine and 7-hydroxymitragynine metabolism BMC research notes, 2019
- Proton range monitoring using 13N peak for proton therapy applications PloS one, 2022
- Carcinogenesis of β-Propiolactone: A Computational Study Chemical research in toxicology, 2020
- Quantum Chemical Modeling of the Photoinduced Activity of Multichromophoric Biosystems Chemical Reviews, 2019
- Sign-Problem-Free Fermionic Quantum Monte Carlo: Developments and Applications Annual Review of Condensed Matter Physics, 2018
- Quantum Dynamics of Exciton Transport and Dissociation in Multichromophoric Systems Annual Review of Physical Chemistry, 2021
- Quantum Order-by-Disorder in Strongly Correlated Metals Annual Review of Condensed Matter Physics, 2017
- A unified quantum rate theory of electron transfer: conceptual advances in quantum electrochemistry Chemical Society Reviews, 2026
- Progress in Trapped-Ion Quantum Simulation Annual Review of Condensed Matter Physics, 2024
- Quantum Chemical Studies of Light Harvesting Chemical Reviews, 2016
- Quantum dot-sensitized solar cells Chemical Society Reviews, 2018
- FEMTOSECOND LASER PHOTOELECTRON SPECTROSCOPY ON ATOMS AND SMALL MOLECULES: Prototype Studies in Quantum Control Annual Review of Physical Chemistry, 2004
- Quantum Chemical Methods for the Prediction of Energetic, Physical, and Spectroscopic Properties of Ionic Liquids Chemical Reviews, 2017
- Coherence in Energy Transfer and Photosynthesis Annual Review of Physical Chemistry, 2014
- Quantum-Chemical Descriptors in QSAR/QSPR Studies Chemical Reviews, 1996
- Noncommuting conserved charges in quantum thermodynamics and beyond Nature Reviews Physics, 2023
- Decoding the Dynamical Information Embedded in Highly Mixed Quantum States Annual Review of Physical Chemistry, 2000
- Molecular spins for quantum information technologies Chemical Society Reviews, 2011
- Quantum Chemical Calculations and Experimental Investigations of Molecular Actinide Oxides Chemical Reviews, 2015
- Understanding Polaritonic Chemistry from Ab Initio Quantum Electrodynamics Chemical Reviews, 2023
- Harnessing the properties of colloidal quantum dots in luminescent solar concentrators Chemical Society Reviews, 2018
- Energy-Based Molecular Fragmentation Methods Chemical Reviews, 2015
- Angle-Resolved Photoemission Studies of Quantum Materials Annual Review of Condensed Matter Physics, 2011
- The Role of Ligands in Determining the Exciton Relaxation Dynamics in Semiconductor Quantum Dots Annual Review of Physical Chemistry, 2013
- Quantum Oscillations in Hole-Doped Cuprates Annual Review of Condensed Matter Physics, 2015
- Molecular Polaritons for Chemistry, Photonics and Quantum Technologies Chemical Reviews, 2024
- Charge Transfer Dynamics from Photoexcited Semiconductor Quantum Dots Annual Review of Physical Chemistry, 2016
- Recent progress in two-dimensional inorganic quantum dots Chemical Society Reviews, 2017
- Quantum sensors for biomedical applications Nature Reviews Physics, 2023
- Quantum and Quantum-Inspired Optimisation in Transport and Logistics: A Systematic Review Smart Cities, 2025
- Nonadiabatic Quantum Chemistry—Past, Present, and Future Chemical Reviews, 2011
- Quantum confined colloidal nanorod heterostructures for solar-to-fuel conversion Chemical Society Reviews, 2016
- Luminescent sensors based on quantum dot–molecule conjugates Chemical Society Reviews, 2015
- Nuclear Quantum Effects in Water and Aqueous Systems: Experiment, Theory, and Current Challenges Chemical Reviews, 2016
