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Ligand-Dependent Conformations and Dynamics of the Serotonin 5-HT<sub>2A</sub> Receptor Determine Its Activation and Membrane-Driven Oligomerization Properties.
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- PLoS Computational Biology, 2012, v. 8, n. 4, p. 1, doi. 10.1371/journal.pcbi.1002473
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- Article
Progress in the prediction of p K<sub>a</sub> values in proteins.
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- Proteins, 2011, v. 79, n. 12, p. 3260, doi. 10.1002/prot.23189
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Calculation of p K<sub>a</sub> in proteins with the microenvironment modulated-screened coulomb potential.
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- Proteins, 2011, v. 79, n. 12, p. 3346, doi. 10.1002/prot.23098
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- Article
Substrate-dependent proton antiport in neurotransmitter:sodium symporters.
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- Nature Chemical Biology, 2010, v. 6, n. 2, p. 109, doi. 10.1038/nchembio.284
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- Article
Quantitative expression of protein heterogeneity: Response of amino acid side chains to their local environment.
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- Proteins, 2008, v. 72, n. 2, p. 646, doi. 10.1002/prot.21958
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- Article
Ab initio computational modeling of loops in G-protein-coupled receptors: Lessons from the crystal structure of rhodopsin.
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- Proteins, 2006, v. 64, n. 3, p. 673, doi. 10.1002/prot.21022
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- Article
Ab initio computational modeling of long loops in G-protein coupled receptors.
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- Journal of Computer-Aided Molecular Design, 2006, v. 20, n. 7/8, p. 427, doi. 10.1007/s10822-006-9056-0
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- Article
Long dynamics simulations of proteins using atomistic force fields and a continuum representation of solvent effects: Calculation of structural and dynamic properties.
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- Proteins, 2005, v. 60, n. 3, p. 464, doi. 10.1002/prot.20470
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- Article
From quantum chemistry and the classical theory of polar liquids to continuum approximations in molecular mechanics calculationsThis paper is dedicated to Dr. John Pople, whose work made such a signal contribution to transforming quantum chemistry from an esoteric specialty to a standard component of the chemist's toolbox.
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- International Journal of Quantum Chemistry, 2005, v. 102, n. 5, p. 986, doi. 10.1002/qua.20526
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Molecular dynamics simulations of peptides and proteins with a continuum electrostatic model based on screened Coulomb potentials.
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- Proteins, 2003, v. 51, n. 1, p. 109, doi. 10.1002/prot.10330
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A critical analysis of continuum electrostatics: The screened Coulomb potential-implicit solvent model and the study of the alanine dipeptide and discrimination of misfolded structures of proteins.
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- Proteins, 2002, v. 47, n. 1, p. 45, doi. 10.1002/prot.10059
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- Article
Mutations in PTPN11, encoding the protein tyrosine phosphatase SHP-2, cause Noonan syndrome.
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- Nature Genetics, 2001, v. 29, n. 4, p. 465, doi. 10.1038/ng772
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- Article
A general screened Coulomb potential based implicit solvent model: Calculation of secondary structure of small peptides.
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- International Journal of Quantum Chemistry, 2001, v. 83, n. 3/4, p. 193, doi. 10.1002/qua.1210
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- Article
Self-consistent, nonorthogonal group function approximation: Application to two interacting, rigid hf molecules.
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- International Journal of Quantum Chemistry, 1978, v. 14, p. 407, doi. 10.1002/qua.560140834
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- Article