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Elucidating the Mechanism of Action of the Clinically Approved Taxanes: A Comprehensive Comparison of Local and Allosteric Effects.
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- Chemical Biology & Drug Design, 2015, v. 86, n. 5, p. 1253, doi. 10.1111/cbdd.12595
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- Article
The Unique Binding Mode of Laulimalide to Two Tubulin Protofilaments.
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- Chemical Biology & Drug Design, 2015, v. 86, n. 2, p. 190, doi. 10.1111/cbdd.12475
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- Article
Computational Prediction and Experimental Validation of the Unique Molecular Mode of Action of Scoulerine.
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- Molecules, 2022, v. 27, n. 13, p. 3991, doi. 10.3390/molecules27133991
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- Article
Explaining the Microtubule Energy Balance: Contributions Due to Dipole Moments, Charges, van der Waals and Solvation Energy.
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- International Journal of Molecular Sciences, 2017, v. 18, n. 10, p. 2042, doi. 10.3390/ijms18102042
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- Article
The Effects of Ring Strain on Cyclic Tetraaryl[5]cumulenes.
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- Chemistry - A European Journal, 2022, v. 28, n. 38, p. 1, doi. 10.1002/chem.202200616
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- Article
Calibration of new model core potentials for main group elements.
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- International Journal of Quantum Chemistry, 2009, v. 109, n. 14, p. 3235, doi. 10.1002/qua.22120
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- Article
Model potentials for molecular calculations. II. The spd-MP set for transition metal atoms Sc through Hg.
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- Journal of Computational Chemistry, 1987, v. 8, n. 3, p. 256, doi. 10.1002/jcc.540080305
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- Article
Model potentials for molecular calculations. I. The sd-MP set for transition metal atoms Sc through Hg.
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- Journal of Computational Chemistry, 1987, v. 8, n. 3, p. 226, doi. 10.1002/jcc.540080304
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- Article
Compact contracted Gaussian-type basis sets for halogen atoms. Basis-set superposition effects on molecular properties.
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- Journal of Computational Chemistry, 1984, v. 5, n. 2, p. 146, doi. 10.1002/jcc.540050205
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- Article
Mathematical and computational modeling in biology at multiple scales.
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- Theoretical Biology & Medical Modelling, 2014, v. 11, n. 1, p. 1, doi. 10.1186/1742-4682-11-52
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- Article
Detailed Per-residue Energetic Analysis Explains the Driving Force for Microtubule Disassembly.
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- PLoS Computational Biology, 2015, v. 11, n. 6, p. 1, doi. 10.1371/journal.pcbi.1004313
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- Article
Estimating hydrogen bond energies: comparison of methods.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2014, v. 133, n. 8, p. 1, doi. 10.1007/s00214-014-1520-7
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- Article
Structure and stability of organic molecules containing heavy rare gas atoms.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2013, v. 132, n. 2, p. 1, doi. 10.1007/s00214-012-1314-8
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- Article
Relativistic calculations on the ground and excited states of AgH and AuH in cylindrical harmonic confinement.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2007, v. 118, n. 3, p. 607, doi. 10.1007/s00214-007-0349-8
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- Article
The well-tempered model core potentials for the main-group elements Li–Rn.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2004, v. 112, n. 1, p. 33, doi. 10.1007/s00214-003-0563-y
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- Article
Revised model core potentials of s-block elements.
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- Journal of Computational Chemistry, 2007, v. 28, n. 15, p. 2424, doi. 10.1002/jcc.20612
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- Article
Improved model core potentials for the second- and third-row transition metals.
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- Journal of Computational Chemistry, 2004, v. 25, n. 9, p. 1206, doi. 10.1002/jcc.20044
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- Article
Development of new pseudopotential methods: Improved model core potentials for the first-row transition metals.
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- Journal of Computational Chemistry, 2003, v. 24, n. 9, p. 1009
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- Article
Ab initio SCF and Møller-plesset studies on hexafluorides of selenium and tellurium.
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- Journal of Computational Chemistry, 1993, v. 14, n. 10, p. 1234, doi. 10.1002/jcc.540141012
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- Article
Inactivation of Protein Tyrosine Phosphatases by Peracids Correlates with the Hydrocarbon Chain Length.
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- Cellular Physiology & Biochemistry (Karger AG), 2015, v. 36, n. 3, p. 1069, doi. 10.1159/000430280
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- Article
Improved model core potentials: Application to the thermochemistry of organoxenon complexes.
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- International Journal of Quantum Chemistry, 2002, v. 90, n. 3, p. 1099, doi. 10.1002/qua.10256
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- Article
Nonempirical self-consistent modified extended Huckel calculations on heavy-metal systems. II. Electronic structure, bonding, and spectra of the binuclear Pt.
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- International Journal of Quantum Chemistry, 1986, v. 30, p. 239, doi. 10.1002/qua.560300723
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- Article
Designing and Testing of Novel Taxanes to Probe the Highly Complex Mechanisms by Which Taxanes Bind to Microtubules and Cause Cytotoxicity to Cancer Cells.
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- PLoS ONE, 2015, v. 10, n. 6, p. 1, doi. 10.1371/journal.pone.0129168
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- Article
Computing UV-vis spectra of 1-bromo-1-propene: a comparison of model core potential and all-electron basis sets.
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- Canadian Journal of Chemistry, 2017, v. 95, n. 5, p. 627, doi. 10.1139/cjc-2016-0518
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- Article
Basis set effects in simple compounds of heavy rare gases.
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- Canadian Journal of Chemistry, 2013, v. 91, n. 9, p. 894, doi. 10.1139/cjc-2012-0510
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- Article
Interactions of laulimalide, peloruside, and their derivatives with the isoforms of β-tubulin.
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- Canadian Journal of Chemistry, 2013, v. 91, n. 7, p. 511, doi. 10.1139/cjc-2012-0360
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- Article
A theoretical analysis of the kinetics of the reaction of atomic bromine with tetrahydrofuran.
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- Canadian Journal of Chemistry, 2010, v. 88, n. 11, p. 1136, doi. 10.1139/V10-092
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- Article
DFT studies of complexes between ethylenediamine tetraacetate and alkali and alkaline earth cations.
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- Canadian Journal of Chemistry, 2009, v. 87, n. 10, p. 1492, doi. 10.1139/V09-093
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- Article