Found: 29
Select item for more details and to access through your institution.
Congo Red as a Supramolecular Carrier System for Doxorubicin: An Approach to Understanding the Mechanism of Action.
- Published in:
- International Journal of Molecular Sciences, 2022, v. 23, n. 16, p. 8935, doi. 10.3390/ijms23168935
- By:
- Publication type:
- Article
The Molecular Bases of the Interaction between a Saponin from the Roots of Gypsophila paniculata L. and Model Lipid Membranes.
- Published in:
- International Journal of Molecular Sciences, 2022, v. 23, n. 6, p. 3397, doi. 10.3390/ijms23063397
- By:
- Publication type:
- Article
Formation of β-cyclodextrin complexes in an anhydrous environment.
- Published in:
- Journal of Molecular Modeling, 2016, v. 22, n. 9, p. 207, doi. 10.1007/s00894-016-3061-6
- By:
- Publication type:
- Article
Intermediate electrostatic field for the elongation method.
- Published in:
- Journal of Molecular Modeling, 2014, v. 20, n. 6, p. 1, doi. 10.1007/s00894-014-2277-6
- By:
- Publication type:
- Article
Charge sensitivity approach to mutual polarization of reactants: molecular mechanics perspective.
- Published in:
- Journal of Molecular Modeling, 2013, v. 19, n. 10, p. 4163, doi. 10.1007/s00894-013-1757-4
- By:
- Publication type:
- Article
Intermediate Electrostatic Field for the Generalized Elongation Method.
- Published in:
- ChemPhysChem, 2015, v. 16, n. 7, p. 1551, doi. 10.1002/cphc.201402901
- By:
- Publication type:
- Article
Revealing the Bonding Pattern from the Molecular Electron Density Using Single Exponential Decay Detector: An Orbital-Free Alternative to the Electron Localization Function.
- Published in:
- ChemPhysChem, 2012, v. 13, n. 15, p. 3462, doi. 10.1002/cphc.201200500
- By:
- Publication type:
- Article
Geometry optimization for large systems by the elongation method.
- Published in:
- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2012, v. 131, n. 10, p. 1, doi. 10.1007/s00214-012-1277-9
- By:
- Publication type:
- Article
Application of the elongation method to the electronic structure of spin-polarized molecular wire under electric field.
- Published in:
- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2010, v. 125, n. 3-6, p. 493, doi. 10.1007/s00214-009-0662-5
- By:
- Publication type:
- Article
Mechanism of hydrogen abstraction from methane and hydrofluoromethanes by hydroxyl radical.
- Published in:
- Journal of Physical Organic Chemistry, 2002, v. 15, n. 8, p. 524, doi. 10.1002/poc.522
- By:
- Publication type:
- Article
Structure and Location of Protein Sites Binding Self-Associated Congo Red Molecules with Intercalated Drugs as Compact Ligands—Theoretical Studies.
- Published in:
- Biomolecules (2218-273X), 2021, v. 11, n. 4, p. 501, doi. 10.3390/biom11040501
- By:
- Publication type:
- Article
Chemometrics as a valuable tool for evaluating interactions between antiretroviral drugs and food.
- Published in:
- British Journal of Clinical Pharmacology, 2023, v. 89, n. 10, p. 2977, doi. 10.1111/bcp.15796
- By:
- Publication type:
- Article
Insights into Transfer of Supramolecular Doxorubicin/Congo Red Aggregates through Phospholipid Membranes.
- Published in:
- Molecules, 2024, v. 29, n. 11, p. 2567, doi. 10.3390/molecules29112567
- By:
- Publication type:
- Article
Nucleoside Analog Reverse-Transcriptase Inhibitors in Membrane Environment: Molecular Dynamics Simulations.
- Published in:
- Molecules, 2023, v. 28, n. 17, p. 6273, doi. 10.3390/molecules28176273
- By:
- Publication type:
- Article
Modeling Lung Surfactant Interactions with Benzo[a]pyrene.
- Published in:
- Chemistry - A European Journal, 2017, v. 23, n. 22, p. 5307, doi. 10.1002/chem.201605945
- By:
- Publication type:
- Article
Molecular hardness and softness parameters and their use in chemistry.
- Published in:
- International Journal of Quantum Chemistry, 1988, v. 34, p. 349, doi. 10.1002/qua.560340840
- By:
- Publication type:
- Article
Charge sensitivity analysis in force-field-atom resolution.
- Published in:
- Journal of Molecular Modeling, 2011, v. 17, n. 9, p. 2217, doi. 10.1007/s00894-011-1006-7
- By:
- Publication type:
- Article
Elongation cutoff technique: low-order scaling SCF method.
- Published in:
- Journal of Molecular Modeling, 2008, v. 14, n. 8, p. 651, doi. 10.1007/s00894-008-0295-y
- By:
- Publication type:
- Article
Charge distributions for molecular dynamics simulations from self‐consistent polarization method.
- Published in:
- Journal of Computational Chemistry, 2020, v. 41, n. 30, p. 2591, doi. 10.1002/jcc.26414
- By:
- Publication type:
- Article
Elongation method with intermediate mechanical and electrostatic embedding for geometry optimizations of polymers.
- Published in:
- Journal of Computational Chemistry, 2020, v. 41, n. 25, p. 2203, doi. 10.1002/jcc.26389
- By:
- Publication type:
- Article
Describing electron correlation effects in the framework of the elongation method—Elongation-MP2: Formalism, implementation and efficiency.
- Published in:
- Journal of Computational Chemistry, 2010, v. 31, n. 8, p. 1733, doi. 10.1002/jcc.21462
- By:
- Publication type:
- Article
Elongation cutoff technique armed with quantum fast multipole method for linear scaling.
- Published in:
- Journal of Computational Chemistry, 2009, v. 30, n. 15, p. 2515, doi. 10.1002/jcc.21252
- By:
- Publication type:
- Article
Efficiency and accuracy of the elongation method as applied to the electronic structures of large systems.
- Published in:
- Journal of Computational Chemistry, 2006, v. 27, n. 13, p. 1603, doi. 10.1002/jcc.20466
- By:
- Publication type:
- Article
Elongation cutoff technique at Kohn–Sham level of theory.
- Published in:
- International Journal of Quantum Chemistry, 2010, v. 110, n. 12, p. 2130, doi. 10.1002/qua.22562
- By:
- Publication type:
- Article
Elongation method at restricted open-shell Hartree–Fock level of theory.
- Published in:
- International Journal of Quantum Chemistry, 2005, v. 105, n. 6, p. 875, doi. 10.1002/qua.20684
- By:
- Publication type:
- Article
Elongation method with cutoff technique for linear SCF scaling.
- Published in:
- International Journal of Quantum Chemistry, 2005, v. 102, n. 5, p. 785, doi. 10.1002/qua.20448
- By:
- Publication type:
- Article
Role of Charge-Transfer Effects in Regioselectivity.
- Published in:
- International Journal of Quantum Chemistry, 2005, v. 101, n. 6, p. 714, doi. 10.1002/qua.20328
- By:
- Publication type:
- Article
Bond detectors for molecular dynamics simulations, Part I: Hydrogen bonds.
- Published in:
- Journal of Computational Chemistry, 2013, v. 34, n. 26, p. 2261, doi. 10.1002/jcc.23385
- By:
- Publication type:
- Article
Energy partitioning scheme based on self-consistent method for subsystems: Populational space approach.
- Published in:
- Journal of Computational Chemistry, 2011, v. 32, n. 6, p. 1054, doi. 10.1002/jcc.21685
- By:
- Publication type:
- Article