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Generalized Hybrid-Orbital Method for Combining Density Functional Theory with Molecular Mechanicals.
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- ChemPhysChem, 2005, v. 6, n. 9, p. 1853, doi. 10.1002/cphc.200400602
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- Article
Training machine learning potentials for reactive systems: A Colab tutorial on basic models.
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- Journal of Computational Chemistry, 2024, v. 45, n. 10, p. 638, doi. 10.1002/jcc.27269
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- Article
Design of Light‐Induced Solid‐State Plasmonic Rulers via Tethering Photoswitchable Molecular Machines to Gold Nanostructures Displaying Angstrom Length Resolution.
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- Advanced Optical Materials, 2024, v. 12, n. 24, p. 1, doi. 10.1002/adom.202400801
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- Article
Mapping Free Energy Pathways for ATP Hydrolysis in the E. coli ABC Transporter HlyB by the String Method.
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- Molecules, 2018, v. 23, n. 10, p. 2652, doi. 10.3390/molecules23102652
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- Article
Expanding the Horizon of the Thymine Isostere Biochemistry: Unique Cyclobutane Dimers Formed by Photoreaction between a Thymine and a Toluene Residue in the Dinucleotide Framework.
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- Chemistry - A European Journal, 2012, v. 18, n. 25, p. 7823, doi. 10.1002/chem.201200816
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- Article
Chemical Synthesis, Crystal Structure and Enzymatic Evaluation of a Dinucleotide Spore Photoproduct Analogue Containing a Formacetal Linker.
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- Chemistry - A European Journal, 2011, v. 17, n. 35, p. 9658, doi. 10.1002/chem.201101821
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- Article