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Evolutionary Divergence of the C-terminal Domain of Complexin Accounts for Functional Disparities between Vertebrate and Invertebrate Complexins.
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- Frontiers in Molecular Neuroscience, 2017, p. 1, doi. 10.3389/fnmol.2017.00146
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- Article
Electron density redistribution in the stabilization of a molecular stacking complex: The nature and correction of basis set superposition errors.
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- Journal of Computational Chemistry, 1981, v. 2, n. 1, p. 73, doi. 10.1002/jcc.540020113
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- Article
QUANTUM MECHANICAL ANALYSIS OF ELECTRONIC TRANSITIONS IN SOME CYANINE DYE PHOTOSENSITIZERS.
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- Photochemistry & Photobiology, 1973, v. 18, n. 3, p. 175, doi. 10.1111/j.1751-1097.1973.tb06409.x
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- Article
Agonists induce conformational changes in transmembrane domains III and VI of the ß<sub>2</sub> adrenoceptor.
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- EMBO Journal, 1997, v. 16, n. 22, p. 6737, doi. 10.1093/emboj/16.22.6737
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- Article
How structural elements evolving from bacterial to human SLC6 transporters enabled new functional properties.
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- BMC Biology, 2018, v. 16, p. 1, doi. 10.1186/s12915-018-0495-6
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Recognition, Response.
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- Sciences, 1981, v. 21, n. 7, p. 26
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- Article
Topology of Type II REases revisited; structural classes and the common conserved core.
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- Nucleic Acids Research, 2007, v. 35, n. 7, p. 2227, doi. 10.1093/nar/gkm045
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- Article
Tas1r3, encoding a new candidate taste receptor, is allelic to the sweet responsiveness locus Sac.
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- Nature Genetics, 2001, v. 28, n. 1, p. 58, doi. 10.1038/88270
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The study of G-protein coupled receptor oligomerization with computational modeling and bioinformatics.
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- FEBS Journal, 2005, v. 272, n. 12, p. 2926, doi. 10.1111/j.1742-4658.2005.04730.x
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- Article
Conformational dynamics of ligand-dependent alternating access in LeuT.
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- Nature Structural & Molecular Biology, 2014, v. 21, n. 5, p. 472, doi. 10.1038/nsmb.2816
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- Article
Experimental conditions can obscure the second high-affinity site in LeuT.
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- Nature Structural & Molecular Biology, 2012, v. 19, n. 2, p. 207, doi. 10.1038/nsmb.2197
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- Article
Ion/substrate-dependent conformational dynamics of a bacterial homolog of neurotransmitter:sodium symporters.
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- Nature Structural & Molecular Biology, 2010, v. 17, n. 7, p. 822, doi. 10.1038/nsmb.1854
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- Article
A Markov State-based Quantitative Kinetic Model of Sodium Release from the Dopamine Transporter.
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- Scientific Reports, 2017, p. 40076, doi. 10.1038/srep40076
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- Article
The Substrate-Driven Transition to an Inward-Facing Conformation in the Functional Mechanism of the Dopamine Transporter.
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- PLoS ONE, 2011, v. 6, n. 1, p. 1, doi. 10.1371/journal.pone.0016350
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Computational modeling of the N-terminus of the human dopamine transporter and its interaction with PIP<sub>2</sub>-containing membranes.
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- Proteins, 2015, v. 83, n. 5, p. 952, doi. 10.1002/prot.24792
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- Article
Structural and dynamic effects of cholesterol at preferred sites of interaction with rhodopsin identified from microsecond length molecular dynamics simulations.
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- Proteins, 2009, v. 76, n. 2, p. 403, doi. 10.1002/prot.22355
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- Article
Identification of GATC- and CCGG-recognizing Type II REases and their putative specificity-determining positions using Scan2S-A novel motif scan algorithm with optional secondary structure constraints.
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- Proteins, 2008, v. 71, n. 2, p. 631, doi. 10.1002/prot.21777
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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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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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- Article
Dynamic modulation of the lipid translocation groove generates a conductive ion channel in Ca<sup>2+</sup>-bound nhTMEM16.
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- Nature Communications, 2019, v. 10, n. 1, p. 1, doi. 10.1038/s41467-019-12865-4
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- Article
Theoretical studies on the activation mechanism of the histamine H<sub>2</sub>-receptor: The guanidine substitution and its role in the partial agonism of N(alpha)-guanylhistamine.
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- International Journal of Quantum Chemistry, 1983, v. 24, p. 293, doi. 10.1002/qua.560240728
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- Article
Molecular determinants for recognition of phencyclidine derivatives at muscarinic cholinergic receptors.
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- International Journal of Quantum Chemistry, 1983, v. 24, p. 309, doi. 10.1002/qua.560240730
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- Article
The solvent effect in enzyme-substrate interactions: Models of carboxypeptidase.
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- International Journal of Quantum Chemistry, 1982, v. 22, p. 355, doi. 10.1002/qua.560220733
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Molecular determinants for binding of methylenedioxytryptamines at 5-HT/LSD receptors.
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- International Journal of Quantum Chemistry, 1981, v. 20, p. 373, doi. 10.1002/qua.560200734
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- Article
Perturbation treatment of multiple site reactivity. II. Additivity in trimolecular interactions.
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- International Journal of Quantum Chemistry, 1978, v. 14, n. 6, p. 801, doi. 10.1002/qua.560140612
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Theoretical models for molecular mechanisms in biological systems: Tryptamine congeners acting on an LSD-Serotonin receptor.
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- International Journal of Quantum Chemistry, 1978, v. 14, p. 449, doi. 10.1002/qua.560140742
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Models for molecular mechanisms in drug-receptor interactions. Serotonin and 5-hydroxyindole complexes with imidazolium cation.
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- International Journal of Quantum Chemistry, 1977, v. 12, p. 253, doi. 10.1002/qua.560120726
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Reactivity characteristics of large molecules and their biological activity: Indolealkylamines on the LSD/serotonin receptor.
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- International Journal of Quantum Chemistry, 1976, v. 10, p. 135, doi. 10.1002/qua.560100717
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- Article
Some new quantum chemical procedures for the analysis of drug-receptor interactions.
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- International Journal of Quantum Chemistry, 1975, v. 9, p. 59, doi. 10.1002/qua.560090706
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On the possible use of analytic potentials in the scattered-wave method.
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- International Journal of Quantum Chemistry, 1974, v. 8, p. 123, doi. 10.1002/qua.560080815
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- Article
A Metactoid-Sensitization Model for the Classification of Histamine Receptors Coupled to [<sup>3</sup>H]cAMP Accumulation in a Vesicular Preparation of Guinea Pig Cerebral Cortexa.
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- Annals of the New York Academy of Sciences, 1987, v. 494, n. 1, p. 243, doi. 10.1111/j.1749-6632.1987.tb29536.x
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INTRODUCTION.
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- Annals of the New York Academy of Sciences, 1981, v. 367, n. 1, p. ix, doi. 10.1111/j.1749-6632.1981.tb50557.x
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- Article
QUANTUM CHEMICAL STUDIES ON MOLECULAR DETERMINANTS FOR DRUG ACTION*.
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- Annals of the New York Academy of Sciences, 1981, v. 367, n. 1, p. 434, doi. 10.1111/j.1749-6632.1981.tb50583.x
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MODELS FOR ACTIVE SITES OF METALLOENZYMES. II. INTERACTIONS WITH A MODEL SUBSTRATE*.
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- Annals of the New York Academy of Sciences, 1981, v. 367, n. 1, p. 356, doi. 10.1111/j.1749-6632.1981.tb50578.x
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- Article
EFFECTIVE POTENTIAL METHODS FOR USE IN ELECTRONIC STRUCTURE CALCULATIONS OF LARGE MOLECULES*.
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- Annals of the New York Academy of Sciences, 1981, v. 367, n. 1, p. 17, doi. 10.1111/j.1749-6632.1981.tb50559.x
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Structural and energetic parameters of Ca<sup>2+</sup> binding to peptides and proteins.
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- Biopolymers, 1988, v. 27, n. 12, p. 1865, doi. 10.1002/bip.360271202
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Structural analysis of carboxypeptidase A and its complexes with inhibitors as a basis for modeling enzyme recognition and specificity.
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- Biopolymers, 1985, v. 24, n. 9, p. 1721, doi. 10.1002/bip.360240906
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- Article
Simulation of pH-Dependent Conformational Transitions in Membrane Proteins: The CLC-ec1 Cl − /H + Antiporter.
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- Molecules, 2021, v. 26, n. 22, p. 6956, doi. 10.3390/molecules26226956
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- Article
Substrate-modulated gating dynamics in a Na<sup>+</sup>-coupled neurotransmitter transporter homologue.
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- Nature, 2011, v. 474, n. 7349, p. 109, doi. 10.1038/nature09971
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- Article
Single-molecule dynamics of gating in a neurotransmitter transporter homologue.
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- Nature, 2010, v. 465, n. 7295, p. 188, doi. 10.1038/nature09057
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Building protein diagrams on the web with the residue-based diagram editor RbDe.
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- Nucleic Acids Research, 2003, v. 31, n. 13, p. 3856, doi. 10.1093/nar/gkg552
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- Article
Prediction of heterodimerization interfaces of G-protein coupled receptors with a new subtractive correlated mutation method.
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- Protein Engineering, 2002, v. 15, n. 11, p. 881, doi. 10.1093/protein/15.11.881
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- Article
Differences in conformational properties of the second intracellular loop (IL2) in 5HT2C receptors modified by RNA editing can account for G protein coupling efficiency.
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- Protein Engineering, 2001, v. 14, n. 6, p. 409, doi. 10.1093/protein/14.6.409
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- Article
Modeling multi-component protein–DNA complexes: the role of bending and dimerization in the complex of p53 dimers with DNA.
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- Protein Engineering, 2001, v. 14, n. 4, p. 233, doi. 10.1093/protein/14.4.233
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Prokink: a protocol for numerical evaluation of helix distortions by proline.
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- Protein Engineering, 2000, v. 13, n. 9, p. 603, doi. 10.1093/protein/13.9.603
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- Article
Substrate‐selective protein ectodomain shedding by ADAM17 and iRhom2 depends on their juxtamembrane and transmembrane domains.
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- FASEB Journal, 2020, v. 34, n. 4, p. 4956, doi. 10.1096/fj.201902649R
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- Article
Phosphatidylinositol (4,5)‐bisphosphate regulates psychostimulant behaviors through its interaction with the dopamine transporter (803.2).
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- FASEB Journal, 2014, v. 28, p. N.PAG, doi. 10.1096/fasebj.28.1_supplement.803.2
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- Article
NbIT - A New Information Theory-Based Analysis of Allosteric Mechanisms Reveals Residues that Underlie Function in the Leucine Transporter LeuT.
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- PLoS Computational Biology, 2014, v. 10, n. 5, p. 1, doi. 10.1371/journal.pcbi.1003603
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- Article
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
Membrane Localization is Critical for Activation of the PICK1 BAR Domain.
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- Traffic, 2008, v. 9, n. 8, p. 1327, doi. 10.1111/j.1600-0854.2008.00761.x
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- Article