Detalhe da pesquisa
1.
Improving IDP theoretical chemical shift accuracy and efficiency through a combined MD/ADMA/DFT and machine learning approach.
Phys Chem Chem Phys
; 24(45): 27678-27692, 2022 Nov 23.
Artigo
em Inglês
| MEDLINE | ID: mdl-36373847
2.
Pathophysiology of the pancreas after oral infection of genetically diverse mice with coxsackievirus B4-E2.
Arch Virol
; 160(1): 103-15, 2015 Jan.
Artigo
em Inglês
| MEDLINE | ID: mdl-25293347
3.
Design of exchange-correlation functionals through the correlation factor approach.
J Chem Phys
; 143(14): 144102, 2015 Oct 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-26472358
4.
Communication: A non-empirical correlation factor model for the exchange-correlation energy.
J Chem Phys
; 141(11): 111102, 2014 Sep 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-25240336
5.
A single coxsackievirus B2 capsid residue controls cytolysis and apoptosis in rhabdomyosarcoma cells.
J Virol
; 84(12): 5868-79, 2010 Jun.
Artigo
em Inglês
| MEDLINE | ID: mdl-20375176
6.
Phosphorus chemical shifts in a nucleic acid backbone from combined molecular dynamics and density functional calculations.
J Am Chem Soc
; 132(48): 17139-48, 2010 Dec 08.
Artigo
em Inglês
| MEDLINE | ID: mdl-21073198
7.
Quantum Chemical Calculations of NMR Chemical Shifts in Phosphorylated Intrinsically Disordered Proteins.
J Chem Theory Comput
; 15(10): 5642-5658, 2019 Oct 08.
Artigo
em Inglês
| MEDLINE | ID: mdl-31487161
8.
31P chemical shift tensors for canonical and non-canonical conformations of nucleic acids: a DFT study and NMR implications.
J Phys Chem B
; 112(11): 3470-8, 2008 Mar 20.
Artigo
em Inglês
| MEDLINE | ID: mdl-18298109
9.
Relationships between 31P chemical shift tensors and conformation of nucleic acid backbone: a DFT study.
J Phys Chem B
; 111(10): 2658-67, 2007 Mar 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-17315915
10.
Spectral density mapping at multiple magnetic fields suitable for (13)C NMR relaxation studies.
J Magn Reson
; 266: 23-40, 2016 05.
Artigo
em Inglês
| MEDLINE | ID: mdl-27003380
11.
Type I diabetes mellitus: genetic factors and presumptive enteroviral etiology or protection.
J Pathog
; 2014: 738512, 2014.
Artigo
em Inglês
| MEDLINE | ID: mdl-25574400
12.
Toward Reproducing Sequence Trends in Phosphorus Chemical Shifts for Nucleic Acids by MD/DFT Calculations.
J Chem Theory Comput
; 9(3): 1641-56, 2013 Mar 12.
Artigo
em Inglês
| MEDLINE | ID: mdl-26587625
13.
Outcome of challenge with Coxsackievirus B4 in young mice after maternal infection with the same virus during gestation.
FEMS Immunol Med Microbiol
; 64(2): 184-90, 2012 Mar.
Artigo
em Inglês
| MEDLINE | ID: mdl-22066931