| 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 | 458 | 2005 |
| 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 | 181 | 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 | 175 | 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 | 107 | 2004 |
| 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 | 94 | 2012 |
| Enzyme specific activity in functionalized nanoporous supports C Lei, TA Soares, Y Shin, J Liu, EJ Ackerman Nanotechnology 19, 125102, 2008 | 77 | 2008 |
| Mulheres em ciência e tecnologia: ascensão limitada TA Soares Química Nova 24 (2), 281-285, 2001 | 68 | 2001 |
| 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 | 54 | 2009 |
| 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 | 52 | 2017 |
| 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 | 52 | 2015 |
| 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 | 51 | 2014 |
| 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 | 51 | 2012 |
| 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 | 50 | 2020 |
| 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 | 49 | 2012 |
| 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 | 46 | 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 | 41 | 2014 |
| Assessment of the convergence of molecular dynamics simulations of lipopolysaccharide membranes TA Soares, TP Straatsma Molecular Simulation 34 (3), 295-307, 2008 | 38 | 2008 |
| Investigations on human immunodeficiency virus type 1 integrase/DNA binding interactions via molecular dynamics and electrostatics calculations RD Lins, A Adesokan, TA Soares, JM Briggs Pharmacology & therapeutics 85 (3), 123-131, 2000 | 37 | 2000 |
| Biochemical correlate of depression in children. EA De Queiroz, AB Lombardi, CS Furtado, CC Peixoto, TA Soares, ... Arquivos de Neuro-psiquiatria, 1991 | 37 | 1991 |
| The role of nonbonded interactions in the conformational dynamics of organophosphorous hydrolase adsorbed onto functionalized mesoporous silica surfaces DEB Gomes, RD Lins, PG Pascutti, C Lei, TA Soares The Journal of Physical Chemistry B 114 (1), 531-540, 2010 | 36 | 2010 |
Roberto LinsOswaldo Cruz Foundation確認したメール アドレス: cpqam.fiocruz.br
