Barroso da Silva FL - Search Results

1

Understanding and Controlling Food Protein Structure and Function in Foods: Perspectives from Experiments and Computer Simulations.

Barroso da Silva FL, Carloni P, Cheung D, Cottone G, Donnini S, Foegeding EA, Gulzar M, Jacquier JC, Lobaskin V, MacKernan D, Mohammad Hosseini Naveh Z, Radhakrishnan R, Santiso EE. Barroso da Silva FL, et al. Annu Rev Food Sci Technol. 2020 Mar 25;11:365-387. doi: 10.1146/annurev-food-032519-051640. Epub 2020 Jan 17. Annu Rev Food Sci Technol. 2020. PMID: 31951485 Free PMC article. Review.

2

Benchmarking a Fast Proton Titration Scheme in Implicit Solvent for Biomolecular Simulations.

Barroso da Silva FL, MacKernan D. Barroso da Silva FL, et al. J Chem Theory Comput. 2017 Jun 13;13(6):2915-2929. doi: 10.1021/acs.jctc.6b01114. Epub 2017 May 10. J Chem Theory Comput. 2017. PMID: 28376614

3

Computationally Mapping pK_a Shifts Due to the Presence of a Polyelectrolyte Chain around Whey Proteins.

Srivastava D, Santiso E, Gubbins K, Barroso da Silva FL. Srivastava D, et al. Among authors: barroso da silva fl. Langmuir. 2017 Oct 24;33(42):11417-11428. doi: 10.1021/acs.langmuir.7b02271. Epub 2017 Sep 15. Langmuir. 2017. PMID: 28859478

4

OPEP6: A New Constant-pH Molecular Dynamics Simulation Scheme with OPEP Coarse-Grained Force Field.

Barroso da Silva FL, Sterpone F, Derreumaux P. Barroso da Silva FL, et al. J Chem Theory Comput. 2019 Jun 11;15(6):3875-3888. doi: 10.1021/acs.jctc.9b00202. Epub 2019 May 15. J Chem Theory Comput. 2019. PMID: 31059255

5

On the interactions of the receptor-binding domain of SARS-CoV-1 and SARS-CoV-2 spike proteins with monoclonal antibodies and the receptor ACE2.

Corrêa Giron C, Laaksonen A, Barroso da Silva FL. Corrêa Giron C, et al. Among authors: barroso da silva fl. Virus Res. 2020 Aug;285:198021. doi: 10.1016/j.virusres.2020.198021. Epub 2020 May 15. Virus Res. 2020. PMID: 32416259 Free PMC article.

6

Coarse-grained dynamic RNA titration simulations.

Pasquali S, Frezza E, Barroso da Silva FL. Pasquali S, et al. Among authors: barroso da silva fl. Interface Focus. 2019 Jun 6;9(3):20180066. doi: 10.1098/rsfs.2018.0066. Epub 2019 Apr 19. Interface Focus. 2019. PMID: 31065339 Free PMC article.

7

Identification of Electrostatic Epitopes in Flavivirus by Computer Simulations: The PROCEEDpKa Method.

Poveda-Cuevas SA, Etchebest C, Barroso da Silva FL. Poveda-Cuevas SA, et al. Among authors: barroso da silva fl. J Chem Inf Model. 2020 Feb 24;60(2):944-963. doi: 10.1021/acs.jcim.9b00895. Epub 2020 Jan 3. J Chem Inf Model. 2020. PMID: 31774285

8

A combined experimental and molecular simulation study of factors influencing interaction of quinoa proteins-carrageenan.

Montellano Duran N, Spelzini D, Wayllace N, Boeris V, Barroso da Silva FL. Montellano Duran N, et al. Among authors: barroso da silva fl. Int J Biol Macromol. 2018 Feb;107(Pt A):949-956. doi: 10.1016/j.ijbiomac.2017.09.076. Epub 2017 Sep 21. Int J Biol Macromol. 2018. PMID: 28943441

9

Effect of charge regulation and ion-dipole interactions on the selectivity of protein-nanoparticle binding.

Barroso da Silva FL, Boström M, Persson C. Barroso da Silva FL, et al. Langmuir. 2014 Apr 15;30(14):4078-83. doi: 10.1021/la500027f. Epub 2014 Mar 31. Langmuir. 2014. PMID: 24580378

10

Fast coarse-grained model for RNA titration.

Barroso da Silva FL, Derreumaux P, Pasquali S. Barroso da Silva FL, et al. J Chem Phys. 2017 Jan 21;146(3):035101. doi: 10.1063/1.4972986. J Chem Phys. 2017. PMID: 28109220

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