Detalhe da pesquisa
1.
DELTA50: A Highly Accurate Database of Experimental 1H and 13C NMR Chemical Shifts Applied to DFT Benchmarking.
Molecules
; 28(6)2023 Mar 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-36985422
2.
Deuterated Modifiers in Sub/Supercritical Fluid Chromatography for Streamlined NMR Structure Elucidation.
Anal Chem
; 94(35): 12176-12184, 2022 09 06.
Artigo
em Inglês
| MEDLINE | ID: mdl-36001377
3.
Driving to a Better Understanding of Acyl Glucuronide Transformations Using NMR and Molecular Modeling.
Chem Res Toxicol
; 35(3): 459-474, 2022 03 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-35156375
4.
One-Step Regio- and Stereoselective Electrochemical Synthesis of Orexin Receptor Antagonist Oxidative Metabolites.
J Org Chem
; 87(22): 15011-15021, 2022 11 18.
Artigo
em Inglês
| MEDLINE | ID: mdl-36322780
5.
Solution cis-Proline Conformation of IPCs Inhibitor Aureobasidin A Elucidated via NMR-Based Conformational Analysis.
J Nat Prod
; 85(6): 1449-1458, 2022 06 24.
Artigo
em Inglês
| MEDLINE | ID: mdl-35622967
6.
Application of 1,1-ADEQUATE and DFT to correct 13 C misassignments of carbonyl chemical shifts for carbapenem antibiotics.
Magn Reson Chem
; 60(10): 963-969, 2022 10.
Artigo
em Inglês
| MEDLINE | ID: mdl-35781893
7.
Deep Dive into Machine Learning Models for Protein Engineering.
J Chem Inf Model
; 60(6): 2773-2790, 2020 06 22.
Artigo
em Inglês
| MEDLINE | ID: mdl-32250622
8.
Denigrins and Dactylpyrroles, Arylpyrrole Alkaloids from a Dactylia sp. Marine Sponge.
J Nat Prod
; 83(11): 3464-3470, 2020 11 25.
Artigo
em Inglês
| MEDLINE | ID: mdl-33151696
9.
Optical Chirality Sensing with a Stereodynamic Aluminum Biphenolate Probe.
J Org Chem
; 84(8): 4639-4645, 2019 Apr 19.
Artigo
em Inglês
| MEDLINE | ID: mdl-30019902
10.
Highly Diastereoselective Synthesis of a HCV NS5B Nucleoside Polymerase Inhibitor.
J Org Chem
; 84(8): 4780-4795, 2019 04 19.
Artigo
em Inglês
| MEDLINE | ID: mdl-30475616
11.
Complex macrocycle exploration: parallel, heuristic, and constraint-based conformer generation using ForceGen.
J Comput Aided Mol Des
; 33(6): 531-558, 2019 06.
Artigo
em Inglês
| MEDLINE | ID: mdl-31054028
12.
Perioperative Interrogation of Biotronik Cardiovascular Implantable Electronic Devices: A Guide for Anesthesiologists.
J Cardiothorac Vasc Anesth
; 33(12): 3427-3436, 2019 Dec.
Artigo
em Inglês
| MEDLINE | ID: mdl-30928289
13.
Post-Synthetic Modification of Oligonucleotides via Orthogonal Amidation and Copper Catalyzed Cycloaddition Reactions.
Bioconjug Chem
; 29(6): 1859-1865, 2018 06 20.
Artigo
em Inglês
| MEDLINE | ID: mdl-29893553
14.
Modeling and predicting chiral stationary phase enantioselectivity: An efficient random forest classifier using an optimally balanced training dataset and an aggregation strategy.
J Sep Sci
; 41(6): 1365-1375, 2018 Mar.
Artigo
em Inglês
| MEDLINE | ID: mdl-29383846
15.
Model for the Enantioselectivity of Asymmetric Intramolecular Alkylations by Bis-Quaternized Cinchona Alkaloid-Derived Catalysts.
J Org Chem
; 82(16): 8645-8650, 2017 08 18.
Artigo
em Inglês
| MEDLINE | ID: mdl-28731701
16.
Asymmetric Formal Synthesis of the Long-Acting DPP-4 Inhibitor Omarigliptin.
J Org Chem
; 82(17): 9023-9029, 2017 09 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-28776371
17.
Discovery of selective, orally bioavailable, N-linked arylsulfonamide Nav1.7 inhibitors with pain efficacy in mice.
Bioorg Med Chem Lett
; 27(10): 2087-2093, 2017 05 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-28389149
18.
The evolution of drug design at Merck Research Laboratories.
J Comput Aided Mol Des
; 31(3): 255-266, 2017 03.
Artigo
em Inglês
| MEDLINE | ID: mdl-27878643
19.
Absolute configuration assignment of (+)-fluralaner using vibrational circular dichroism.
Chirality
; 29(12): 854-864, 2017 Dec.
Artigo
em Inglês
| MEDLINE | ID: mdl-28981965
20.
Antenna Biphenols: Development of Extended Wavelength Chiroptical Reporters.
J Org Chem
; 81(3): 1185-91, 2016 Feb 05.
Artigo
em Inglês
| MEDLINE | ID: mdl-26756165