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NMR characterization of HIV-1 reverse transcriptase binding to various non-nucleoside reverse transcriptase inhibitors with different activities.
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- Scientific Reports, 2015, p. 15806, doi. 10.1038/srep15806
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- Article
Key Structural Features of Azanaphthoquinone Annelated Pyrrole Derivative as Anticancer Agents Based on the Rational Drug Design Approaches.
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- Molecular Informatics, 2013, v. 32, n. 5/6, p. 541, doi. 10.1002/minf.201200132
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- Article
Comparison of feline and human immunodeficiency virus reverse transcriptase enzymes through chemical screening and computational analysis.
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- Chemical Biology & Drug Design, 2024, v. 103, n. 5, p. 1, doi. 10.1111/cbdd.14530
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- Article
Novel peptides with HIV‐1 reverse transcriptase inhibitory activity derived from the fruits of Quercus infectoria.
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- Chemical Biology & Drug Design, 2021, v. 97, n. 1, p. 157, doi. 10.1111/cbdd.13770
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- Article
Key Structures and Interactions for Binding of Mycobacterium tuberculosis Protein Kinase B Inhibitors from Molecular Dynamics Simulation.
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- Chemical Biology & Drug Design, 2015, v. 86, n. 1, p. 871, doi. 10.1111/cbdd.12465
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- Article
Molecular Dynamics of Interactions between Rigid and Flexible Antifolates and Dihydrofolate Reductase from Pyrimethamine-Sensitive and Pyrimethamine-Resistant Plasmodium falciparum.
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- Chemical Biology & Drug Design, 2014, v. 84, n. 4, p. 450, doi. 10.1111/cbdd.12334
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- Article
Biophysical Characterization of Novel DNA Aptamers against K103N/Y181C Double Mutant HIV-1 Reverse Transcriptase.
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- Molecules, 2022, v. 27, n. 1, p. 1, doi. 10.3390/molecules27010285
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- Article
Elucidation of Vasodilation Response and Structure Activity Relationships of N2,N4-Disubstituted Quinazoline 2,4-Diamines in a Rat Pulmonary Artery Model.
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- Molecules, 2019, v. 24, n. 2, p. 281, doi. 10.3390/molecules24020281
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- Article
Elucidating Drug-Enzyme Interactions and Their Structural Basis for Improving the Affinity and Potency of Isoniazid and Its Derivatives Based on Computer Modeling Approaches.
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- Molecules, 2010, v. 15, n. 4, p. 2791, doi. 10.3390/molecules15042791
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- Article
JSPS Asian Core Program: Cutting-Edge Organic Chemistry in Asia (Phase II), 14th Asian Chemical Congress, and IUPAC Joint Workshop: Strategic Planning for a New East and Southeast Asian Network for Organic Chemistry.
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- Chemistry - An Asian Journal, 2012, v. 7, n. 7, p. 1468, doi. 10.1002/asia.201200193
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- Article
Risk factors and clinical and laboratory findings associated with feline immunodeficiency virus and feline leukemia virus infections in Bangkok, Thailand.
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- Veterinary World, 2022, v. 15, n. 7, p. 1601, doi. 10.14202/vetworld.2022.1601-1609
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- Article
Insight into HIV-1 reverse transcriptase-aptamer interaction from molecular dynamics simulations.
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- Journal of Molecular Modeling, 2014, v. 20, n. 8, p. 1, doi. 10.1007/s00894-014-2380-8
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- Article
Elucidating the structural basis of diphenyl ether derivatives as highly potent enoyl-ACP reductase inhibitors through molecular dynamics simulations and 3D-QSAR study.
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- Journal of Molecular Modeling, 2014, v. 20, n. 7, p. 1, doi. 10.1007/s00894-014-2319-0
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- Article
Key role of hydrazine to the interaction between oxaloacetic against phosphoenolpyruvic carboxykinase (PEPCK): ONIOM calculations.
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- Journal of Molecular Modeling, 2013, v. 19, n. 8, p. 3165, doi. 10.1007/s00894-013-1842-8
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- Article
Characteristic vibration patterns of odor compounds from bread-baking volatiles upon protein binding: density functional and ONIOM study and principal component analysis.
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- Journal of Molecular Modeling, 2012, v. 18, n. 5, p. 2227, doi. 10.1007/s00894-011-1227-9
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- Article
In silico screening of epidermal growth factor receptor (EGFR) in the tyrosine kinase domain through a medicinal plant compound database.
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- Journal of Molecular Modeling, 2012, v. 18, n. 3, p. 1241, doi. 10.1007/s00894-011-1135-z
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- Article
Insight into the reaction mechanism of cis,cis-muconate lactonizing enzymes: a DFT QM/MM study.
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- Journal of Molecular Modeling, 2012, v. 18, n. 2, p. 525, doi. 10.1007/s00894-011-1088-2
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- Article
Rapid activity prediction of HIV-1 integrase inhibitors: harnessing docking energetic components for empirical scoring by chemometric and artificial neural network approaches.
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- Journal of Computer-Aided Molecular Design, 2016, v. 30, n. 6, p. 471, doi. 10.1007/s10822-016-9917-0
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- Article
Interactions between cycloguanil derivatives and wild type and resistance-associated mutant Plasmodium falciparum dihydrofolate reductases.
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- Journal of Computer-Aided Molecular Design, 2009, v. 23, n. 4, p. 241, doi. 10.1007/s10822-008-9254-z
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- Article
Bis(phenothiazyl-ethynylene)-Based Organic Dyes Containing Di-Anchoring Groups with Efficiency Comparable to N719 for Dye-Sensitized Solar Cells.
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- Chemistry - An Asian Journal, 2017, v. 12, n. 3, p. 332, doi. 10.1002/asia.201601427
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- Article
Absorption and emission properties of various substituted cinnamic acids and cinnamates, based on TDDFT investigation.
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- International Journal of Quantum Chemistry, 2013, v. 113, n. 4, p. 542, doi. 10.1002/qua.24169
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- Article
Molecular Dynamics simulations of azanaphthoquinone annelated pyrrole derivatives as anticancer agent in DNA duplex.
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- International Journal of Quantum Chemistry, 2013, v. 113, n. 4, p. 555, doi. 10.1002/qua.24120
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- Article
Divide-and-conquer-based quantum chemical study for interaction between HIV-1 reverse transcriptase and MK-4965 inhibitor.
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- International Journal of Quantum Chemistry, 2013, v. 113, n. 4, p. 510, doi. 10.1002/qua.24164
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- Article
Theoretical Investigation on the Electronic and Optical Properties of Poly(fluorenevinylene) Derivatives as Light-Emitting Materials.
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- International Journal of Photoenergy, 2011, p. 1, doi. 10.1155/2011/570103
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- Article
Dynamic Scenario of Membrane Binding Process of Kalata B1.
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- PLoS ONE, 2014, v. 9, n. 12, p. 1, doi. 10.1371/journal.pone.0114473
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- Article
Biophysical Characterization of p51 and p66 Monomers of HIV-1 Reverse Transcriptase with Their Inhibitors.
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- Protein Journal, 2023, v. 42, n. 6, p. 741, doi. 10.1007/s10930-023-10156-y
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- Article
Nuclear quantum effect and temperature dependency on the hydrogen-bonded structure of 7-azaindole dimer.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2014, v. 133, n. 9, p. 1, doi. 10.1007/s00214-014-1553-y
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Effects of the second hydration shell on excited-state multiple proton transfer: dynamics simulations of 7-azaindole:(HO) clusters in the gas phase.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2014, v. 133, n. 5, p. 1, doi. 10.1007/s00214-014-1480-y
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- Article
Theoretical study on excited-state intermolecular proton transfer reactions of 1 H-pyrrolo[3,2- h]quinoline with water and methanol.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2013, v. 132, n. 11, p. 1, doi. 10.1007/s00214-013-1397-x
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- Article
Theoretical study on the structures and electronic properties of oligo( p-phenylenevinylene) carboxylic acid and its derivatives: effects of spacer and anchor groups.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2012, v. 131, n. 4, p. 1, doi. 10.1007/s00214-012-1209-8
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- Article
Understanding on absorption and fluorescence electronic transitions of carbazole-based conducting polymers: TD-DFT approaches.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2010, v. 125, n. 1/2, p. 35, doi. 10.1007/s00214-009-0655-4
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- Article
Simulation Study of Interactions Between Two Bioactive Components from Zingiber cassumunar and 5-Lipoxygenase.
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- Cellular & Molecular Bioengineering, 2018, v. 11, n. 1, p. 77, doi. 10.1007/s12195-017-0515-6
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- Article
Application of Site-Specific Spin Labeling for NMR Detecting Inhibitor-Induced Conformational Change of HIV-1 Reverse Transcriptase.
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- ChemMedChem, 2016, v. 11, n. 4, p. 363, doi. 10.1002/cmdc.201500554
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- Article
A Study of the Binding Energies of Efavirenz to Wild-Type and K103N/Y181C HIV-1 Reverse Transcriptase Based on the ONIOM Method.
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- ChemMedChem, 2008, v. 3, n. 5, p. 803, doi. 10.1002/cmdc.200700181
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- Article
Investigation of excited-state properties of fluorene–thiophene oligomers by the SAC-CI theoretical approach.
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- Journal of Computational Chemistry, 2010, v. 31, n. 10, p. 1945, doi. 10.1002/jcc.21490
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- Article
Excited state properties, fluorescence energies, and lifetimes of a poly(fluorene-phenylene), based on TD-DFT investigation.
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- Journal of Computational Chemistry, 2010, v. 31, n. 7, p. 1450, doi. 10.1002/jcc.21429
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- Article
Excited state properties, fluorescence energies, and lifetime of a poly(fluorene-pyridine) copolymer, based on TD-DFT investigation.
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- Journal of Computational Chemistry, 2007, v. 28, n. 10, p. 1735, doi. 10.1002/jcc.20685
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- Article
Substrate induced structural and dynamics changes in human phosphomevalonate kinase and implications for mechanism.
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- Proteins, 2009, v. 75, n. 1, p. 127, doi. 10.1002/prot.22228
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- Article
Binding energy analysis for wild-type and Y181C mutant HIV-1 RT/8-Cl TIBO complex structures: Quantum chemical calculations based on the ONIOM method.
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- Proteins, 2005, v. 61, n. 4, p. 859, doi. 10.1002/prot.20690
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- Article
Study of the removal of a disperse dye stain from a polyester/elastane blend.
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- Coloration Technology, 2012, v. 128, n. 2, p. 103, doi. 10.1111/j.1478-4408.2011.00351.x
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- Article
2D-QSAR and CoMFA Models for Antitubercular Activity of Scalarane-Type Sesterterpenes.
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- Scientia Pharmaceutica, 2022, v. 90, n. 3, p. 47, doi. 10.3390/scipharm90030047
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- Article
Characterization of New DNA Aptamers for Anti‐HIV‐1 Reverse Transcriptase.
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- ChemBioChem, 2021, v. 22, n. 5, p. 915, doi. 10.1002/cbic.202000633
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- Article
Use of Capillary Electrophoresis to Study the Binding Interaction of Aptamers with Wild-Type, K103N, and Double Mutant (K103N/Y181C) HIV-1 RT.
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- Applied Biochemistry & Biotechnology, 2017, v. 182, n. 2, p. 546, doi. 10.1007/s12010-016-2343-x
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- Article
Smart Design on the Cyclometalated Ligands of Iridium(III) Complexes for Facile Tuning of Phosphorescence Color Spanning from Deep‐Blue to Near‐Infrared.
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- Advanced Optical Materials, 2018, v. 6, n. 23, p. N.PAG, doi. 10.1002/adom.201800824
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- Article
Development of Aldehyde Functionalized Iridium(III) Complexes Photosensitizers with Strong Visible-Light Absorption for Photocatalytic Hydrogen Generation from Water.
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- Inorganics, 2023, v. 11, n. 3, p. 110, doi. 10.3390/inorganics11030110
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- Article
New Racemosol Derivatives as Potent Cyclooxygenase (COX) Inhibitors.
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- Chemistry & Biodiversity, 2005, v. 2, n. 12, p. 1635, doi. 10.1002/cbdv.200590133
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- Article
Elucidation of hydroxyl groups-antioxidant relationship in mono- and dihydroxyflavones based on O-H bond dissociation enthalpies.
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- Journal of Molecular Modeling, 2015, v. 21, n. 6, p. 1, doi. 10.1007/s00894-015-2669-2
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- Article