| 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 | 564 | 2020 |
| 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 | 562 | 2005 |
| 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 | 297 | 2012 |
| NWChem E Apra, EJ Bylaska, WA de Jong, N Govind, K Kowalski, TP Straatsma, ... American Institute of Physics, 2020 | 215 | 2020 |
| 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 | 210 | 2005 |
| 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 | 127 | 2012 |
| 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 | 118 | 2004 |
| 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 | 111 | 2017 |
| Mulheres em ciência e tecnologia: ascensão limitada TA Soares Química Nova 24, 281-285, 2001 | 100 | 2001 |
| 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 | 93 | 2015 |
| 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 | 75 | 2009 |
| 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 | 72 | 2012 |
| 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 | 68 | 2019 |
| 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 | 64 | 2012 |
| 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 | 63 | 2017 |
| 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 | 61 | 2014 |
| 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 | 59 | 2014 |
| 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 | 58 | 2014 |
| 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 | 54 | 2016 |
| Enzyme specific activity in functionalized nanoporous supports C Lei, TA Soares, Y Shin, J Liu, EJ Ackerman Nanotechnology 19, 125102, 2008 | 53 | 2008 |
Roberto LinsOswaldo Cruz FoundationVerified email at cpqam.fiocruz.br
