Detalhe da pesquisa
1.
p38γ is essential for cell cycle progression and liver tumorigenesis.
Nature
; 568(7753): 557-560, 2019 04.
Artigo
em Inglês
| MEDLINE | ID: mdl-30971822
2.
Decrypting Allostery in Membrane-Bound K-Ras4B Using Complementary In Silico Approaches Based on Unbiased Molecular Dynamics Simulations.
J Am Chem Soc
; 146(1): 901-919, 2024 Jan 10.
Artigo
em Inglês
| MEDLINE | ID: mdl-38116743
3.
Controlling Monoterpene Isomerization by Guiding Challenging Carbocation Rearrangement Reactions in Engineered Squalene-Hopene Cyclases.
Angew Chem Int Ed Engl
; 63(12): e202318913, 2024 Mar 18.
Artigo
em Inglês
| MEDLINE | ID: mdl-38270537
4.
C-H Bonds as Functional Groups: Simultaneous Generation of Multiple Stereocenters by Enantioselective Hydroxylation at Unactivated Tertiary C-H Bonds.
J Am Chem Soc
; 145(29): 15742-15753, 2023 Jul 26.
Artigo
em Inglês
| MEDLINE | ID: mdl-37431886
5.
Brave new surfactant world revisited by thermoalkalophilic lipases: computational insights into the role of SDS as a substrate analog.
Phys Chem Chem Phys
; 25(3): 2234-2247, 2023 Jan 18.
Artigo
em Inglês
| MEDLINE | ID: mdl-36594810
6.
Harnessing the Structure and Dynamics of the Squalene-Hopene Cyclase for (-)-Ambroxide Production.
Angew Chem Int Ed Engl
; 62(22): e202301607, 2023 05 22.
Artigo
em Inglês
| MEDLINE | ID: mdl-36939150
7.
Time Evolution of the Millisecond Allosteric Activation of Imidazole Glycerol Phosphate Synthase.
J Am Chem Soc
; 144(16): 7146-7159, 2022 04 27.
Artigo
em Inglês
| MEDLINE | ID: mdl-35412310
8.
SBMOpenMM: A Builder of Structure-Based Models for OpenMM.
J Chem Inf Model
; 61(7): 3166-3171, 2021 07 26.
Artigo
em Inglês
| MEDLINE | ID: mdl-34251801
9.
Regioselective Synthesis and Characterization of Tris- and Tetra-Prato Adducts of M3N@C80 (M = Y, Gd).
J Am Chem Soc
; 142(30): 12954-12965, 2020 07 29.
Artigo
em Inglês
| MEDLINE | ID: mdl-32586092
10.
Computational NMR Spectra of o-Benzyne and Stable Guests and Their Hemicarceplexes.
Chemistry
; 26(12): 2626-2634, 2020 Feb 26.
Artigo
em Inglês
| MEDLINE | ID: mdl-31765503
11.
Enzyme Conformation Influences the Performance of Lipase-powered Nanomotors.
Angew Chem Int Ed Engl
; 59(47): 21080-21087, 2020 11 16.
Artigo
em Inglês
| MEDLINE | ID: mdl-32755070
12.
Regio- and Stereoselective Steroid Hydroxylation at C7 by Cytochromeâ P450 Monooxygenase Mutants.
Angew Chem Int Ed Engl
; 59(30): 12499-12505, 2020 07 20.
Artigo
em Inglês
| MEDLINE | ID: mdl-32243054
13.
Deciphering the Allosterically Driven Conformational Ensemble in Tryptophan Synthase Evolution.
J Am Chem Soc
; 141(33): 13049-13056, 2019 08 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-31356074
14.
Structures of Gd3N@C80 Prato Bis-Adducts: Crystal Structure, Thermal Isomerization, and Computational Study.
J Am Chem Soc
; 141(28): 10988-10993, 2019 07 17.
Artigo
em Inglês
| MEDLINE | ID: mdl-31266302
15.
Hidden Conformations in Aspergillus niger Monoamine Oxidase are Key for Catalytic Efficiency.
Angew Chem Int Ed Engl
; 58(10): 3097-3101, 2019 03 04.
Artigo
em Inglês
| MEDLINE | ID: mdl-30600584
16.
Epoxide Hydrolase Conformational Heterogeneity for the Resolution of Bulky Pharmacologically Relevant Epoxide Substrates.
Chemistry
; 24(47): 12254-12258, 2018 Aug 22.
Artigo
em Inglês
| MEDLINE | ID: mdl-29633396
17.
Origins of stereoselectivity in evolved ketoreductases.
Proc Natl Acad Sci U S A
; 112(51): E7065-72, 2015 Dec 22.
Artigo
em Inglês
| MEDLINE | ID: mdl-26644568
18.
Exploring the reversal of enantioselectivity on a zinc-dependent alcohol dehydrogenase.
Org Biomol Chem
; 15(19): 4122-4129, 2017 May 16.
Artigo
em Inglês
| MEDLINE | ID: mdl-28436515
19.
Exploring the origins of selectivity in soluble epoxide hydrolase from Bacillus megaterium.
Org Biomol Chem
; 15(41): 8827-8835, 2017 Oct 25.
Artigo
em Inglês
| MEDLINE | ID: mdl-29026902
20.
Molecular dynamics explorations of active site structure in designed and evolved enzymes.
Acc Chem Res
; 48(4): 1080-9, 2015 Apr 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-25738880