Detalhe da pesquisa
1.
From vibrational spectroscopy and quantum tunnelling to periodic band structures - a self-supervised, all-purpose neural network approach to general quantum problems.
Phys Chem Chem Phys
; 24(41): 25191-25202, 2022 Oct 27.
Artigo
em Inglês
| MEDLINE | ID: mdl-36254856
2.
AtFAHD1a: A New Player Influencing Seed Longevity and Dormancy in Arabidopsis?
Int J Mol Sci
; 22(6)2021 Mar 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-33804275
3.
Inhibitors of Fumarylacetoacetate Hydrolase Domain Containing Protein 1 (FAHD1).
Molecules
; 26(16)2021 Aug 18.
Artigo
em Inglês
| MEDLINE | ID: mdl-34443596
4.
Structural basis for the bi-functionality of human oxaloacetate decarboxylase FAHD1.
Biochem J
; 475(22): 3561-3576, 2018 11 20.
Artigo
em Inglês
| MEDLINE | ID: mdl-30348641
5.
The fumarylacetoacetate hydrolase (FAH) superfamily of enzymes: multifunctional enzymes from microbes to mitochondria.
Biochem Soc Trans
; 46(2): 295-309, 2018 04 17.
Artigo
em Inglês
| MEDLINE | ID: mdl-29487229
6.
A rigorous and optimized strategy for the evaluation of the Boys function kernel in molecular electronic structure theory.
J Comput Chem
; 36(18): 1390-8, 2015 Jul 05.
Artigo
em Inglês
| MEDLINE | ID: mdl-25974205
7.
A dissociative quantum mechanical/molecular mechanical molecular dynamics simulation and infrared experiments reveal characteristics of the strongly hydrolytic arsenic(III).
Inorg Chem
; 53(22): 11861-70, 2014 Nov 17.
Artigo
em Inglês
| MEDLINE | ID: mdl-25157412
8.
Ab initio quantum mechanical simulations confirm the formation of all postulated species in ionic dissociation.
Phys Chem Chem Phys
; 16(16): 7368-76, 2014 Apr 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-24623175
9.
Mitochondrial enzyme FAHD1 reduces ROS in osteosarcoma.
Sci Rep
; 14(1): 9231, 2024 04 22.
Artigo
em Inglês
| MEDLINE | ID: mdl-38649439
10.
Solvation properties and behaviour of lutetium(III) in aqueous solution--a quantum mechanical charge field (QMCF) study.
J Chem Phys
; 139(11): 114306, 2013 Sep 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-24070289
11.
Dynamics of ligand exchange mechanism at Cu(II) in water: an ab initio quantum mechanical charge field molecular dynamics study with extended quantum mechanical region.
J Chem Phys
; 139(1): 014503, 2013 Jul 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-23822310
12.
Accessing Position Space Wave Functions in Band Structure Calculations of Periodic SystemsâA Generalized, Adapted Numerov Implementation for One-, Two-, and Three-Dimensional Quantum Problems.
J Phys Chem Lett
; 14(33): 7395-7403, 2023 Aug 24.
Artigo
em Inglês
| MEDLINE | ID: mdl-37566743
13.
A QMCF-MD investigation of the structure and dynamics of Ce4+ in aqueous solution.
Inorg Chem
; 51(12): 6746-52, 2012 Jun 18.
Artigo
em Inglês
| MEDLINE | ID: mdl-22651096
14.
Guanidinium in aqueous solution studied by quantum mechanical charge field-molecular dynamics (QMCF-MD).
Phys Chem Chem Phys
; 14(19): 7012-27, 2012 May 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-22482114
15.
Ab initio quantum mechanical charge field molecular dynamics simulation (QMCF-MD) of Bi(3+) in water.
J Phys Chem A
; 116(30): 8008-14, 2012 Aug 02.
Artigo
em Inglês
| MEDLINE | ID: mdl-22747253
16.
Extraction and Purification of FAHD1 Protein from Swine Kidney and Mouse Liver.
J Vis Exp
; (180)2022 02 18.
Artigo
em Inglês
| MEDLINE | ID: mdl-35253790
17.
The circadian transcription factor ARNTL2 is regulated by weight-loss interventions in human white adipose tissue and inhibits adipogenesis.
Cell Death Discov
; 8(1): 443, 2022 Nov 03.
Artigo
em Inglês
| MEDLINE | ID: mdl-36329012
18.
Hydrogen bond formation of formamide and N-methylformamide in aqueous solution studied by quantum mechanical charge field-molecular dynamics (QMCF-MD).
Phys Chem Chem Phys
; 13(26): 12173-85, 2011 Jul 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-21647491
19.
Hydration of highly charged ions.
Chem Phys Lett
; 512(4-6): 139-145, 2011 Aug.
Artigo
em Inglês
| MEDLINE | ID: mdl-22298911
20.
Structure and dynamics of the chromate ion in aqueous solution. An ab initio QMCF-MD simulation.
Inorg Chem
; 49(17): 7964-8, 2010 Sep 06.
Artigo
em Inglês
| MEDLINE | ID: mdl-20704361