Found: 19
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Retinal dynamics underlie its switch from inverse agonist to agonist during rhodopsin activation.
- Published in:
- Nature Structural & Molecular Biology, 2011, v. 18, n. 3, p. 392, doi. 10.1038/nsmb.1982
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- Article
Prediction of the experimental regioselectivity of C<sub>60</sub> fullerene bis-adducts Prediction of the experimental regioselectivity of C<sub>60</sub> fullerene bis-adducts.
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- Journal of Physical Organic Chemistry, 2012, v. 25, n. 11, p. 894, doi. 10.1002/poc.2943
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- Article
Chemoinformatic Analysis of GRAS (Generally Recognized as Safe) Flavor Chemicals and Natural Products.
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- PLoS ONE, 2012, v. 7, n. 11, p. 1, doi. 10.1371/journal.pone.0050798
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- Article
Quantum Topological Atomic Properties of 44K molecules.
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- Scientific Data, 2024, v. 11, n. 1, p. 1, doi. 10.1038/s41597-024-03723-0
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- Article
Activity-difference maps and consensus similarity measure characterize structure-activity relationships.
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- 2012
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- Abstract
Structure-based identification of a potential non-catalytic binding site for rational drug design in the fructose 1,6-biphosphate aldolase from Giardia lamblia.
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- Scientific Reports, 2019, v. 9, n. 1, p. N.PAG, doi. 10.1038/s41598-019-48192-3
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- Article
Distribution of toxicity values across different species and modes of action of pesticides from PESTIMEP and PPDB databases.
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- Toxicology Research, 2019, v. 8, n. 2, p. 146, doi. 10.1039/c8tx00322j
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- Article
Synthesis of bisindolyl diphenylene from its ketone derivatives by infrared irradiation supported on a natural clay.
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- Canadian Journal of Chemistry, 2024, v. 102, n. 1, p. 7, doi. 10.1139/cjc-2021-0288
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- Article
Integrating computational and mixture-based screening of combinatorial libraries.
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- Journal of Molecular Modeling, 2011, v. 17, n. 6, p. 1473, doi. 10.1007/s00894-010-0850-1
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- Article
The Origin of One-Bond C–H Coupling Constants in OCH Fragments: Not Primarily nO→${{\rm \sigma} {{\ast \hfill \atop {\rm CH}\hfill}}}$ DelocalizationK.M.M. acknowledges Conacyt for financial support. M.C.F.A. thanks the MECD for a fellowship. This work was supported by Conacyt grant 40390-Q. Financial support by the DGICYT is acknowledged (Grant BQU2000-1501-C01). We are grateful to the DGSCA and the CESGA for supercomputing time support. The cooperative program between the CSIC and the UNAM is also gratefully acknowledged. C.L.P. acknowledges the NSF for Grant CHE03-53091.
- Published in:
- Angewandte Chemie, 2005, v. 117, n. 16, p. 2412, doi. 10.1002/ange.200461583
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- Article
Dynamic clustering threshold reduces conformer ensemble size while maintaining a biologically relevant ensemble.
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- Journal of Computer-Aided Molecular Design, 2010, v. 24, n. 8, p. 675, doi. 10.1007/s10822-010-9365-1
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- Article
Conformational landscape of platinum(II)-tetraamine complexes: DFT and NBO studies.
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- Journal of Computer-Aided Molecular Design, 2010, v. 24, n. 3, p. 225, doi. 10.1007/s10822-010-9328-6
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- Article
Modeling of peptides containing D-amino acids: implications on cyclization.
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- Journal of Computer-Aided Molecular Design, 2009, v. 23, n. 9, p. 677, doi. 10.1007/s10822-009-9295-y
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- Article
To Bind or Not to Bind? A Comprehensive Characterization of TIR1 and Auxins Using Consensus In Silico Approaches.
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- Computation, 2024, v. 12, n. 5, p. 94, doi. 10.3390/computation12050094
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- Article
The Conformational Behavior of Novel Glycosidase Inhibitors with Substituted Azepan Structures: An NMR and Modeling Study.
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- European Journal of Organic Chemistry, 2004, v. 2004, n. 20, p. 4119, doi. 10.1002/ejoc.200400320
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- Article
The Origin of One-Bond C–H Coupling Constants in OCH Fragments: Not Primarily nO→${{\rm \sigma} {{\ast \hfill \atop {\rm CH}\hfill}}}$ DelocalizationK.M.M. acknowledges Conacyt for financial support. M.C.F.A. thanks the MECD for a fellowship. This work was supported by Conacyt grant 40390-Q. Financial support by the DGICYT is acknowledged (Grant BQU2000-1501-C01). We are grateful to the DGSCA and the CESGA for supercomputing time support. The cooperative program between the CSIC and the UNAM is also gratefully acknowledged. C.L.P. acknowledges the NSF for Grant CHE03-53091.
- Published in:
- Angewandte Chemie International Edition, 2005, v. 44, n. 16, p. 2360, doi. 10.1002/anie.200461583
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- Article
Pyridin-2(1 H)-ones: A Promising Class of HIV-1 Non-nucleoside Reverse Transcriptase Inhibitors.
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- ChemMedChem, 2007, v. 2, n. 8, p. 1141, doi. 10.1002/cmdc.200700054
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- Article
In Silico Exploration of the Trypanothione Reductase (TryR) of L. mexicana.
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- International Journal of Molecular Sciences, 2023, v. 24, n. 22, p. 16046, doi. 10.3390/ijms242216046
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- Article
Retinal Conformation and Dynamics in Activation of Rhodopsin Illuminated by Solid-state <sup>2</sup>H NMR Spectroscopy.
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- Photochemistry & Photobiology, 2009, v. 85, n. 2, p. 442, doi. 10.1111/j.1751-1097.2008.00510.x
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- Article