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Molecular Features Underlying the Perception of Astringency as Probed by Molecular Modeling.
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- Molecular Informatics, 2011, v. 30, n. 5, p. 410, doi. 10.1002/minf.201000165
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Chiroptical Properties of Amino Acids: A Density Functional Theory Study.
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- Symmetry (20738994), 2010, v. 2, n. 2, p. 935, doi. 10.3390/sym2020934
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- Article
Discrimination between Olfactory Receptor Agonists and Non-agonists.
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- Chemistry - A European Journal, 2014, v. 20, n. 33, p. 10227, doi. 10.1002/chem.201402486
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- Article
Corrigendum: Conserved Residues Control the T1R3-Specific Allosteric Signaling Pathway of the Mammalian Sweet-Taste Receptor.
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- Chemical Senses, 2019, v. 44, n. 8, p. 649, doi. 10.1093/chemse/bjz038
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- Article
Conserved Residues Control the T1R3-Specific Allosteric Signaling Pathway of the Mammalian Sweet-Taste Receptor.
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- Chemical Senses, 2019, v. 44, n. 5, p. 303, doi. 10.1093/chemse/bjz015
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- Article
Olefin Epoxidation by Methyltrioxorhenium: A Density Functional Study on Energetics and Mechanisms.
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- Angewandte Chemie International Edition, 1998, v. 37, n. 16, p. 2211, doi. 10.1002/(SICI)1521-3773(19980904)37:16<2211::AID-ANIE2211>3.0.CO;2-C
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- Article
Exploring Dihydroflavonol‐4‐Reductase Reactivity and Selectivity by QM/MM‐MD Simulations.
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- ChemBioChem, 2022, v. 23, n. 3, p. 1, doi. 10.1002/cbic.202100553
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- Article
G protein-coupled odorant receptors: From sequence to structure.
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- Protein Science: A Publication of the Protein Society, 2015, v. 24, n. 9, p. 1543, doi. 10.1002/pro.2717
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- Article
Update of the ATTRACT force field for the prediction of protein-protein binding affinity.
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- Journal of Computational Chemistry, 2017, v. 38, n. 21, p. 1887, doi. 10.1002/jcc.24836
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- Article
Intramolecular Allyl Transfer Reaction from Allyl Ether to Aldehyde Groups: Experimental and Theoretical Studies.
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- Chemistry - A European Journal, 2002, v. 8, n. 3, p. 664, doi. 10.1002/1521-3765(20020201)8:3<664::AID-CHEM664>3.0.CO;2-D
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- Article
Acid-catalysed oxidative ring-opening of epoxide by DMSO. Theoretical investigation of the effect of acid catalysts and substituents.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2004, v. 112, n. 4, p. 290, doi. 10.1007/s00214-004-0579-y
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The anatomy of mammalian sweet taste receptors.
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- Proteins, 2017, v. 85, n. 2, p. 332, doi. 10.1002/prot.25228
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- Article
Kinetics and thermodynamics of gas diffusion in a NiFe hydrogenase.
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- Proteins, 2012, v. 80, n. 3, p. 677, doi. 10.1002/prot.23248
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Molecular simulations enlighten the binding mode of quercetin to lipoxygenase-3.
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- Proteins, 2008, v. 73, n. 2, p. 290, doi. 10.1002/prot.22179
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- Article
Molecular simulations bring new insights into flavonoid/quercetinase interaction modes.
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- Proteins, 2007, v. 67, n. 4, p. 961, doi. 10.1002/prot.21380
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- Article
Mechanistic events underlying odorant binding protein chemoreception.
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- Proteins, 2007, v. 67, n. 2, p. 448, doi. 10.1002/prot.21307
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- Article
Molecular simulations reveal a new entry site in quercetin 2,3-dioxygenase. A pathway for dioxygen?
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- Proteins, 2006, v. 64, n. 4, p. 845, doi. 10.1002/prot.21042
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Deciphering the Selectivity of Bombyx mori Pheromone Binding Protein for Bombykol over Bombykal: A Theoretical Approach.
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- ChemPhysChem, 2008, v. 9, n. 18, p. 2785, doi. 10.1002/cphc.200800343
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- Article
Oxygenolysis of Flavonoid Compounds: DFT Description of the Mechanism for Quercetin.
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- ChemPhysChem, 2004, v. 5, n. 11, p. 1726, doi. 10.1002/cphc.200400186
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- Article