Soares TA - Search Results

1

Impact of the Molecular Environment on Thiol-Ene Coupling For Biofunctionalization and Conjugation.

Colak B, Da Silva JC, Soares TA, Gautrot JE. Colak B, et al. Among authors: soares ta. Bioconjug Chem. 2016 Sep 21;27(9):2111-23. doi: 10.1021/acs.bioconjchem.6b00349. Epub 2016 Aug 23. Bioconjug Chem. 2016. PMID: 27510221

2

A combined experimental and computational study of novel nanocage-based metal-organic frameworks for drug delivery.

Liu JQ, Li XF, Gu CY, da Silva JC, Barros AL, Alves S Jr, Li BH, Ren F, Batten SR, Soares TA. Liu JQ, et al. Among authors: soares ta. Dalton Trans. 2015 Nov 28;44(44):19370-82. doi: 10.1039/c5dt02171e. Epub 2015 Oct 26. Dalton Trans. 2015. PMID: 26501793

3

Single-Amino Acid Modifications Reveal Additional Controls on the Proton Pathway of [FeFe]-Hydrogenase.

Cornish AJ, Ginovska B, Thelen A, da Silva JC, Soares TA, Raugei S, Dupuis M, Shaw WJ, Hegg EL. Cornish AJ, et al. Among authors: soares ta. Biochemistry. 2016 Jun 7;55(22):3165-73. doi: 10.1021/acs.biochem.5b01044. Epub 2016 May 27. Biochemistry. 2016. PMID: 27186945

4

Conformational Dynamics and Responsiveness of Weak and Strong Polyelectrolyte Brushes: Atomistic Simulations of Poly(dimethyl aminoethyl methacrylate) and Poly(2-(methacryloyloxy)ethyl trimethylammonium chloride).

Santos DES, Li D, Ramstedt M, Gautrot JE, Soares TA. Santos DES, et al. Among authors: soares ta. Langmuir. 2019 Apr 9;35(14):5037-5049. doi: 10.1021/acs.langmuir.8b04268. Epub 2019 Mar 26. Langmuir. 2019. PMID: 30869897

5

Modeling the electrostatic potential of asymmetric lipopolysaccharide membranes: the MEMPOT algorithm implemented in DelPhi.

Dias RP, Lin L, Soares TA, Alexov E. Dias RP, et al. Among authors: soares ta. J Comput Chem. 2014 Jul 15;35(19):1418-1429. doi: 10.1002/jcc.23632. Epub 2014 May 6. J Comput Chem. 2014. PMID: 24799021 Free PMC article.

6

Toward Chemically Resolved Computer Simulations of Dynamics and Remodeling of Biological Membranes.

Soares TA, Vanni S, Milano G, Cascella M. Soares TA, et al. J Phys Chem Lett. 2017 Aug 3;8(15):3586-3594. doi: 10.1021/acs.jpclett.7b00493. Epub 2017 Jul 20. J Phys Chem Lett. 2017. PMID: 28707901

7

Polymyxin Binding to the Bacterial Outer Membrane Reveals Cation Displacement and Increasing Membrane Curvature in Susceptible but Not in Resistant Lipopolysaccharide Chemotypes.

Santos DES, Pol-Fachin L, Lins RD, Soares TA. Santos DES, et al. Among authors: soares ta. J Chem Inf Model. 2017 Sep 25;57(9):2181-2193. doi: 10.1021/acs.jcim.7b00271. Epub 2017 Aug 25. J Chem Inf Model. 2017. PMID: 28805387

8

Plural origins of molecular homochirality in our biota Part II. The relative stabilities of homochiral and mixed oligoribotides and peptides.

Soares TA, Lins RD, Longo R, Garratt R, Ferreira R. Soares TA, et al. Z Naturforsch C J Biosci. 1997 Jan-Feb;52(1-2):89-96. Z Naturforsch C J Biosci. 1997. PMID: 9162172

9

Effect of dimerization on the mechanism of action of aurein 1.2.

Lorenzón EN, Riske KA, Troiano GF, Da Hora GC, Soares TA, Cilli EM. Lorenzón EN, et al. Among authors: soares ta. Biochim Biophys Acta. 2016 Jun;1858(6):1129-38. doi: 10.1016/j.bbamem.2016.02.010. Epub 2016 Feb 11. Biochim Biophys Acta. 2016. PMID: 26874207 Free article.

10

Can Biomimetic Zinc Compounds Assist a (3 + 2) Cycloaddition Reaction? A Theoretical Perspective.

Bozkurt E, Soares TA, Rothlisberger U. Bozkurt E, et al. Among authors: soares ta. J Chem Theory Comput. 2017 Dec 12;13(12):6382-6390. doi: 10.1021/acs.jctc.7b00819. Epub 2017 Nov 10. J Chem Theory Comput. 2017. PMID: 29073762

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