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Mauricio Garcia de Souza Costa

Researcher at the Scientific Computing Program (PROCC), Oswaldo Cruz Foundation (Fiocruz)

Mauricio Garcia de Souza Costa
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Research Interests:

Investigation of conformational dynamics on biological macromolecules
Development of new simulation approaches
Rational protein design


1.   Costa, M.G.S; Silva, Y.F; Batista, P.R. Computational engineering of cellulase Cel9A-68 functional motions through mutations in its linker region. Physical Chemistry Chemical Physics, Just Accepted Manuscript, (2018).

2.   Sutter, A; Antunes, D; Silva-Almeida, M; Costa, M.G.S; Caffarena, E.R. Structural insights into leishmanolysins encoded on chromosome 10 of Leishmania (Viannia) braziliensis. Memorias Do Instituto Oswaldo Cruz.  v.112, p.617 – 625 (2017).

3.    Riley, B.; Ilyichova, O.; Costa, M.G.S.; Porebski, B.T.; De Veer, S.; Swedberg, J.E.; Kass, I.; Harris, J.M.; Hoke, D.E.; Buckle, A.M. Direct and indirect mechanisms of KLK4 inhibition revealed by structure and dynamics. Scientific Reports. v.6, p.35385  (2016)

4.    Porebski, B.T.; Keleher, S.; Hollins, J.J.; Nickson, A.A.; Marijanovic, E.M.; Borg, N.A.; Costa, M.G.S.; Pearce, M.A.; Dai, W.; Zhu, L.; Irving, J.A.; Hoke, D.E.; Kass, I.; Whisstock, J.C.; Bottomley, S.P.; Webb, G.; McGowan, S.; Buckle, A.M. Smoothing a rugged protein folding landscape by sequence-based redesign. Scientific Reports, v. 6, p. 33958, (2016).

5.   Santos, D.; Costa, M.G.S.; Alves, C.R.; Caffarena, E.R. Structural and dynamic insights into the C-Terminal extension of Cysteine Proteinase B from Leishmania amazonensis. Journal of Molecular Graphics & Modelling. 70:30-39 (2016).

6.   Costa, M.G.S.; Batista, P.R.; Bisch, P.M.; Perahia, D. Exploring free energy landscapes of large conformational changes: Molecular Dynamics with Excited Normal Modes. Journal of Chemical Theory and Computation, 11(6):2755-67 (2015)

7.   Damian, M,; Mary, S.; Maingot, M.; M'kadmi, C.; Gagne, D.; Leyris, J.; Denoyelle, S.; Gaibelet, G.; Gavara, L.; Costa, M.G.S.; Perahia, D.; Trinquet, E.; Mouillac, B.; Galandrin, S.; Galès, C.; Fehrentz, J.A.; Floquet, N.; Martinez, J.; Marie, J.; Banères, J.L. Ghrelin receptor conformational dynamics regulate the transition from a preassembled to an active receptor:Gq complex. PNAS, v. 20, p. 201414618, (2015).

8.   Floquet, N*.; Costa, M.G.S*; Batista, P.R.; Renault, P.; Bisch, P.M.; Raussin, F.; Martinez, J.; Morris, M.; Perahia, D. Conformational Equilibrium of CDK/Cyclin Complexes by Molecular Dynamics with Excited Normal Modes. Biophysical Journal (Print), 109(6):1179-89. (2015). (* joint first author)

9.   Giardina,G,; Brunotti, P.; Fiascarelli, A.; Cicalini, A.; Costa, M.G.S.; Buckle, A.M.; Di Salvo, M.L..; Giorgi, A.; Marani, M.; Paone, A.; Rinaldo, S.; Paiardini, A.; Contestabile, R.; Cutruzzolà, F. How pyridoxal 5--phosphate differentially regulates human cytosolic and mitochondrial serine hydroxymethyltransferase oligomeric state. The FEBS Journal (Print), 282(7):1225-41  (2015).

10. Riley, B.T; Broendum, S.S; Reboul, C.F; Cowieson, N; Costa, M.G.S; Kass, I; Jackson, C; Perahia, D; Buckle, A.M; Mcgowan, S. Dynamic Motion and Communication in the Streptococcal C1 Phage Lysin, PlyC. Plos One, v.10, p. e0140219 (2015).

11. Costa, M.G.S; Bennetti-Barbosa, T.G.; Desdouits, N.; Blondel, A; Bisch, P.M; Pascutti, P.G; Batista, P.R. Impact of M36I polymorphism on the interaction of HIV‑1 protease with its substrates: insights from molecular dynamics. BMC Genomics, v. 15, p. S5. (2014)

12. Kass, I*; Hoke, D.E*; Costa, M.G.S*; Reboul, C.F,  Porebski, B.T; Cowieson, N.P; Leh, H.; Pennacchietti, E.; Mccoey, J.; Kleifeld, O.; Voltattorni, C.B; Langley, D.; Roomei, B.; Mackay, I.R; Christ, D.; Perahia, D.; Buckle, M.; Paiardini, A.; Biase, D.; Buckle, A.M. Cofactor-Dependent Conformational Heterogeneity of GAD 65 and its Role in Autoimmunity and Neurotransmitter Homeostasis. PNAS, Vol. 111 No. 25, (2014) (* joint first author)

13. De Aguiar, C; Costa, M.G.S; Verli, H. Dynamics on human toll-like receptor 4 complexation to MD-2: The co-receptor stabilizing function. Proteins (Print), 83, 373-82 (2014).

14. Philot, E.A, Perahia, D, Braz, A.S, Costa, M.G.S, Scott, L.P. Binding sites and hydrophobic pockets in Human Thioredoxin 1 determined by normal mode analysis. Journal of Structural Biology, 184, 293-300 (2013)

15. Bitar, M*; Drummond, M.G*; Costa, M.G.S*; Pereira, F; Calzavara-Silva, C.E; Bisch, P.M; Machado, C.R; Macedo, A.M; Pierce, R.J.; Franco, G.R.  Modeling the zinc finger protein SmZF1 from Schistosoma mansoni: insights into DNA binding and gene regulation. Journal of Molecular Graphics & Modelling, 39, 29-38 (2013). (*joint first author)

16. Batista, P.R*, Costa, M.G.S*, Pascutti, P.G, Bisch, P.M, Souza, W. High temperatures enhance cooperative motions between CBM and catalytic domains of a thermostable cellulase: mechanism insights from essential dynamics. Physical Chemistry Chemical Physics, 13, 13709 (2011) (* joint first author)

17. Costa, M.G.S, Batista, P.R, Shida, C.S, Robert, C.H, Bisch, P.M, Pascutti, P.G. How does heparin prevent the pH inactivation of cathepsin B? Allosteric mechanism elucidated by docking and molecular dynamics. BMC Genomics.v.11, p.S5. (2010)

18. Soares, R.O; Batista, P.R; Costa, M.G.S; Dardenne, L.E.; Pascutti, P. G.; Soares, M.A. Understanding the HIV-1 protease nelfinavir resistance mutation D30N in subtypes B and C through molecular dynamics simulations. Journal of Molecular Graphics & Modelling. v.29, p.137 – 147 (2010)

19. Lery, L.M.S*, Bitatr, M*, Costa, M.G.S*, Rossle, S.C, Bisch, P.M. Unraveling the molecular mechanisms of nitrogenase conformational protection against oxygen in diazotrophic bacteria. BMC Genomics. v.11, p.S7. (*joint first author) (2010)




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