Dr. Caroline Simões Pereira

Jan 1, 2024

Researcher

Institute of Chemistry, Unicamp

Caroline’s research focused on the computational study of carbohydrate-modifying enzymes and their role in lignocellulosic biomass valorization, contributing to the understanding of plant cell wall deconstruction.

Interests

Lignocellulosic Biomass
Carbohydrate-Active Enzymes
Cellulose Depolymerization
Molecular Dynamics Simulations

Education

PhD in Chemistry
Unicamp, Brazil

Publications

Z Zong, S Mazurkewich, Caroline Simões Pereira, H Fu, W Cai, X Shao, Munir S. Skaf, et al. (2022). Mechanism and biomass association of glucuronoyl esterase: an alpha/beta hydrolase with potential in biomass conversion. Nature Communications, 13(1), 1449.

R Cresswell, R Dupree, SP Brown, Caroline Simões Pereira, Munir S. Skaf, M Sorieul, et al. (2021). Importance of water in maintaining softwood secondary cell wall nanostructure. Biomacromolecules, 22(11), 4669-4680.

LN Trentin, Caroline Simões Pereira, Rodrigo Leandro Silveira, S Hill, M Sorieul, Munir S. Skaf (2021). Nanoscale wetting of crystalline cellulose. Biomacromolecules, 22(10), 4251-4261.

Caroline Simões Pereira, Rodrigo Leandro Silveira, Munir S. Skaf (2021). QM/MM simulations of enzymatic hydrolysis of cellulose: probing the viability of an endocyclic mechanism for an inverting cellulase. Journal of Chemical Information and Modeling, 61(4), 1902-1912.

Rodrigo Leandro Silveira, BC Knott, Caroline Simões Pereira, MF Crowley, Munir S. Skaf, GT Beckham (2021). Transition path sampling study of the feruloyl esterase mechanism. The Journal of Physical Chemistry B, 125(8), 2018-2030.

AS Godoy, Caroline Simões Pereira, MP Ramia, Rodrigo Leandro Silveira, CM Camilo, MAS Kadowaki, Munir S. Skaf, et al. (2018). Structure, computational and biochemical analysis of PcCel45A endoglucanase from Phanerochaete chrysosporium. Scientific Reports, 8(1), 3678.

L Yu, JJ Lyczakowski, Caroline Simões Pereira, T Kotake, X Yu, A Li, Munir S. Skaf, et al. (2018). The patterned structure of galactoglucomannan suggests it may bind to cellulose in seed mucilage. Plant Physiology, 178(3), 1011-1026.

Caroline Simões Pereira, Rodrigo Leandro Silveira, P Dupree, Munir S. Skaf (2017). Effects of xylan side-chain substitutions on xylan-cellulose interactions and implications for saccharification. Biomacromolecules, 18(4), 1311-1321.

E Gale, RH Wirawan, Rodrigo Leandro Silveira, Caroline Simões Pereira, MA Johns, Munir S. Skaf, et al. (2016). Directed discovery of greener cosolvents: New cosolvents for use in ionic liquid based organic electrolyte solutions for cellulose dissolution. ACS Sustainable Chemistry & Engineering, 4(11), 6200-6207.

M Busse-Wicher, A Li, Rodrigo Leandro Silveira, Caroline Simões Pereira, T Tryfona, Thiago Costa Ferreira Gomes, Munir S. Skaf, et al. (2016). Evolution of xylan substitution patterns in gymnosperms and angiosperms. Plant Physiology, 171(4), 2418-2431.