Detalhe da pesquisa
1.
Expanding horizons in conceptual density functional theory: Novel ensembles and descriptors to decipher reactivity patterns.
J Comput Chem
; 2024 Apr 05.
Artigo
Inglês
| MEDLINE | ID: mdl-38580454
2.
Adenosine-Dependent Activation Mechanism of Prodrugs Targeting an Aminoacyl-tRNA Synthetase.
J Am Chem Soc
; 145(2): 800-810, 2023 01 18.
Artigo
Inglês
| MEDLINE | ID: mdl-36599057
3.
Di-phosphorylated BAF shows altered structural dynamics and binding to DNA, but interacts with its nuclear envelope partners.
Nucleic Acids Res
; 49(7): 3841-3855, 2021 04 19.
Artigo
Inglês
| MEDLINE | ID: mdl-33744941
4.
Insight into the Varying Reactivity of Different Catalysts for CO2 Cycloaddition into Styrene Oxide: An Experimental and DFT Study.
Int J Mol Sci
; 24(3)2023 Jan 20.
Artigo
Inglês
| MEDLINE | ID: mdl-36768447
5.
Electrophilicity Indices and Halogen Bonds: Some New Alternatives to the Molecular Electrostatic Potential.
J Phys Chem A
; 124(10): 2090-2101, 2020 Mar 12.
Artigo
Inglês
| MEDLINE | ID: mdl-32115952
6.
Quantitative and predictive model of kinetic regulation by E. coli TPP riboswitches.
RNA Biol
; 13(4): 373-90, 2016.
Artigo
Inglês
| MEDLINE | ID: mdl-26932506
7.
kinITC: a new method for obtaining joint thermodynamic and kinetic data by isothermal titration calorimetry.
J Am Chem Soc
; 134(1): 559-65, 2012 Jan 11.
Artigo
Inglês
| MEDLINE | ID: mdl-22126339
8.
The Automated Crystallography Pipelines at the EMBL HTX Facility in Grenoble.
J Vis Exp
; (172)2021 06 05.
Artigo
Inglês
| MEDLINE | ID: mdl-34152315
9.
Can molecular and atomic descriptors predict the electrophilicity of Michael acceptors?
J Mol Model
; 24(10): 281, 2018 Sep 14.
Artigo
Inglês
| MEDLINE | ID: mdl-30218204
10.
Oxidative C-N fusion of pyridinyl-substituted porphyrins.
Chem Commun (Camb)
; 54(43): 5414-5417, 2018 May 24.
Artigo
Inglês
| MEDLINE | ID: mdl-29726882
11.
Bacterial protease uses distinct thermodynamic signatures for substrate recognition.
Sci Rep
; 7(1): 2848, 2017 06 06.
Artigo
Inglês
| MEDLINE | ID: mdl-28588213
12.
Three-Dimensional Structure of Full-Length NtrX, an Unusual Member of the NtrC Family of Response Regulators.
J Mol Biol
; 429(8): 1192-1212, 2017 04 21.
Artigo
Inglês
| MEDLINE | ID: mdl-28088479
13.
Automated harvesting and processing of protein crystals through laser photoablation.
Acta Crystallogr D Struct Biol
; 72(Pt 4): 454-66, 2016 Apr.
Artigo
Inglês
| MEDLINE | ID: mdl-27050125
14.
Structure-guided discovery of a novel aminoglycoside conjugate targeting HIV-1 RNA viral genome.
ACS Chem Biol
; 8(11): 2509-17, 2013 Nov 15.
Artigo
Inglês
| MEDLINE | ID: mdl-24015986