Follow
Thereza A. Soares
Thereza A. Soares
Verified email at usp.br - Homepage
Title
Cited by
Cited by
Year
Validation of the 53A6 GROMOS force field
C Oostenbrink, TA Soares, NFA Van Der Vegt, WF Van Gunsteren
European Biophysics Journal 34 (4), 273-284, 2005
5032005
NWChem: Past, present, and future
E Apra, EJ Bylaska, WA De Jong, N Govind, K Kowalski, TP Straatsma, ...
The Journal of chemical physics 152 (18), 184102, 2020
2292020
Cytotoxicity and slow release of the anti-cancer drug doxorubicin from ZIF-8
IB Vasconcelos, TG da Silva, GCG Militão, TA Soares, NM Rodrigues, ...
RSC advances 2 (25), 9437-9442, 2012
2262012
NWChem
E Apra, EJ Bylaska, WA de Jong, N Govind, K Kowalski, TP Straatsma, ...
American Institute of Physics, 2020
2112020
An improved nucleic acid parameter set for the GROMOS force field
TA Soares, PH Hünenberger, MA Kastenholz, V Kräutler, T Lenz, RD Lins, ...
Journal of computational chemistry 26 (7), 725-737, 2005
1942005
Validation of the GROMOS force-field parameter set 45A3 against nuclear magnetic resonance data of hen egg lysozyme
TA Soares, X Daura, C Oostenbrink, LJ Smith, WF Gunsteren
Journal of Biomolecular NMR 30 (4), 407-422, 2004
1082004
A Glycam-based Force Field For Simulations Of Lipopolysaccharide Membranes: Parametrization and Validation
KN Kirschner, RD Lins, A Maass, TA Soares
Journal of Chemical Theory and Computation, 2012
1052012
Mulheres em ciência e tecnologia: ascensão limitada
TA Soares
Química Nova 24, 281-285, 2001
922001
Myricetin protects Galleria mellonella against Staphylococcus aureus infection and inhibits multiple virulence factors
LN Silva, GCA Da Hora, TA Soares, MS Bojer, H Ingmer, AJ Macedo, ...
Scientific reports 7 (1), 1-16, 2017
782017
Enzyme specific activity in functionalized nanoporous supports
C Lei, TA Soares, Y Shin, J Liu, EJ Ackerman
Nanotechnology 19, 125102, 2008
762008
A combined experimental and computational study of novel nanocage-based metal–organic frameworks for drug delivery
JQ Liu, XF Li, CY Gu, JCS da Silva, AL Barros, S Alves-Jr, BH Li, F Ren, ...
Dalton Transactions 44 (44), 19370-19382, 2015
662015
Characterization of the outer membrane protein OprF of Pseudomonas aeruginosa in a lipopolysaccharide membrane by computer simulation
TP Straatsma, TA Soares
Proteins: Structure, Function, and Bioinformatics 74 (2), 475-488, 2009
622009
Metal organic frameworks for drug delivery and environmental remediation: A molecular docking approach
MO Rodrigues, MV de Paula, KA Wanderley, IB Vasconcelos, S Alves Jr, ...
International Journal of Quantum Chemistry 112 (20), 3346-3355, 2012
572012
Two isoreticular metal–organic frameworks with CdSO 4-like topology: selective gas sorption and drug delivery
JQ Liu, J Wu, ZB Jia, HL Chen, QL Li, H Sakiyama, T Soares, R Fei, ...
Dalton Transactions 43 (46), 17265-17273, 2014
562014
Hydration, ionic valence and cross-linking propensities of cations determine the stability of lipopolysaccharide (LPS) membranes
A Nascimento, FJS Pontes, RD Lins, TA Soares
Chemical communications 50 (2), 231-233, 2014
532014
The Effect of Temperature, Cations, and Number of Acyl Chains on the Lamellar to Non-Lamellar Transition in Lipid-A Membranes: A Microscopic View
FJS Pontes, VH Rusu, TA Soares, RD Lins
Journal of Chemical Theory and Computation, 2012
532012
Designed benzothiadiazole fluorophores for selective mitochondrial imaging and dynamics
PHPR Carvalho, JR Correa, BC Guido, CC Gatto, HCB De Oliveira, ...
Chemistry–A European Journal 20 (47), 15360-15374, 2014
492014
Bioimaging, cellular uptake and dynamics in living cells of a lipophilic fluorescent benzothiadiazole at low temperature (4 C)
AAR Mota, PHPR Carvalho, BC Guido, HCB de Oliveira, TA Soares, ...
Chemical Science 5 (10), 3995-4003, 2014
412014
Biochemical correlate of depression in children
EA Queiroz, AB Lombardi, CR Furtado, CC Peixoto, TA Soares, ZL Fabre, ...
Arq Neuropsiquiatr 49 (4), 418-425, 1991
411991
Impact of the molecular environment on thiol–ene coupling for biofunctionalization and conjugation
B Colak, JCS Da Silva, TA Soares, JE Gautrot
Bioconjugate chemistry 27 (9), 2111-2123, 2016
392016
The system can't perform the operation now. Try again later.
Articles 1–20