متابعة
Thereza A. Soares
Thereza A. Soares
Universidade de Sao Paulo
بريد إلكتروني تم التحقق منه على usp.br - الصفحة الرئيسية
عنوان
عدد مرات الاقتباسات
عدد مرات الاقتباسات
السنة
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), 2020‏
6702020
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
5782005
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
3152012
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
2132005
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
1282012
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
1212004
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), 2823, 2017‏
1172017
Mulheres em ciência e tecnologia: ascensão limitada‏
TA Soares‏
Química Nova 24, 281-285, 2001‏
1062001
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
1002015
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
792009
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
752012
Gram‐negative bacteria targeting mediated by carbohydrate–carbohydrate interactions induced by surface‐modified nanoparticles‏
LB Capeletti, JFA de Oliveira, LMD Loiola, FE Galdino, ...‏
Advanced Functional Materials 29 (48), 1904216, 2019‏
742019
Polymyxin binding to the bacterial outer membrane reveals cation displacement and increasing membrane curvature in susceptible but not in resistant lipopolysaccharide chemotypes‏
DES Santos, L Pol-Fachin, RD Lins, TA Soares‏
Journal of chemical information and modeling 57 (9), 2181-2193, 2017‏
662017
The (Re)-Evolution of Quantitative Structure–Activity Relationship (QSAR) studies propelled by the surge of machine learning methods‏
TA Soares, A Nunes-Alves, A Mazzolari, F Ruggiu, GW Wei, K Merz‏
Journal of Chemical Information and Modeling 62 (22), 5317-5320, 2022‏
652022
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
632014
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
632012
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
622014
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
592014
The molecular structure and conformational dynamics of chitosan polymers: an integrated perspective from experiments and computational simulations‏
RA Cunha, TA Soares, VH Rusu, FJS Pontes, EF Franca, RD Lins‏
The complex world of polysaccharides, 2012‏
592012
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
552016
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مقالات 1–20