ARTICLES (PEER-REVIEWED)

2015
Wijma, H.J., Floor, R.J., Bjelic S., Marrink, S.J, Baker, D, and Janssen, D.B. (2015) Enantioselective enzymes by computational design and in silico screening, Angewandte Chemie, 127, 3797-801.

2014
Liu, Y., Zhang, X., Tan, Y.L., Bhabha, G., Ekiert, D.C., Kipnis, Y., Bjelic, S., Baker, D., Kelly, J.W. (2014) De novo-designed enzymes as small-molecule-regulated fluorescence imaging tags and fluorescent reporters, Journal of American Chemical Society, 136, 13102-5.

2014
Liu, Y., Tan, Y.L., Zhang, X., Bhabha, G., Ekiert, D.C., Genereux, J.C., Cho, Y.H, Kipnis, Y., Bjelic, S., Baker, D., and Kelly, J.W. (2014) Small molecule probes to quantify the functional fraction of a specific protein in a cell with minimal folding equilibrium shifts, Proceedings of National Academy of Sciences, 111, 4449-54.

2014
Nivon, L.G., Bjelic, S., King, C., Baker, D. (2014) Automating human intuition for protein design, Proteins: Structure, Function & Bioinformatics, 82, 858-66.

2014
Bjelic, S., Kipnis, Y., Wang, L., Pianowski, Z., Vorobiev, S., Su, M., Seetharaman, J., Xiao, R., Kornhaber, G., Hunt, J.F., Tong, L., Hilvert, D., and Baker, D. (2014) Exploration of alternate catalytic mechanisms and optimization strategies for retroaldolase design, Journal of Molecular Biology, 426, 256-71.

2013
Bjelic, S., Nivon, L.G., Çelebi-Olçum, N., Kiss, G., Rosewall, C.F., Lovick, H.M., Ingalls, E.L., Gallaher, J.L., Seetharaman, J., Lew, S., Montelione, G.T., Hunt, J.F., Michael, F.E., Houk K.N., and Baker, D. (2013) Computational design of enone-binding proteins with catalytic activity for the Morita-Baylis-Hillman reaction, ACS Chemical Biology, 8, 749-57.

2011
Richter, F., Leaver-Fay, A., Khare, S.D., Bjelic, S., and Baker, D. (2011) De novo enzyme design using ROSETTA3, PLoS ONE, 6.

2008
Bjelic, S., Brandsdal, B.O., and Åqvist, J. (2008) Cold adaptation of citrate synthase enzyme, Biochmistry 47, 10049-10057.

2006
Bjelic, S., and Åqvist, J. (2006) Catalysis and linear free energy relationships in aspartic proteases, Biochemistry 45, 7709-23.

2004
Bjelic, S., and Åqvist, J. (2004) Computational prediction of structure, substrate binding mode, mechanism, and rate for a malaria protease with a novel type of active site, Biochemistry 43, 14521-14528.

2004

Åqvist, J., Wennerström, P., Nervall, M., Bjelic, S., and Brandsdal, B.O., (2004) Molecular dynamics simulations of water and biomolecules wit a Monte Carlo constant pressure algorithm, Chemical Physics Letters, 384, 288-294.

2004

Ersmark, K., Feierberg, I., Bjelic, S., Hamelink, E., Hackett, F., Blackman, M.J., Hulten, J., Samuelsson, B., Åqvist, J., and Hallberg, A. (2004) Potent inhibitors of the Plasmodium falciparum enzymes plasmepsin I and II devoid of cathepsin D inhibitory activity, Journal of Medicinal Chemistry, 47, 110-122.

2003

Ersmark, K., Feierberg, I., Bjelic, S., Hulten, J., Samuelsson, B., Åqvist, J., and Hallberg, A. (2003) C2-symmetric inhibitors of Plasmodium falciparum plasmepsin II: Synthesis and theoretical predictions, Bioorganic & Medicinal Chemistry, 11, 3723-3733.

 

REVIEW ARTICLES (PEER-REVIEWED)

2007
Bjelic, S., Nerval, M., Gutiérrez-de-Terán, H., Ersmark, K., Hallberg, A., and Åqvist, J. (2007) Computational inhibitor design against malaria plasmepsins, CMLS 64, 2285-305.

 

CONFERENCE CONTRIBUTIONS

2015
Bjelic, S., Protein carriers for passage of the blood–brain barrier, 29tn Annual Symposium of the Protein Society
Protein Society Young Investigator Travel Award Recipient!

2015
Bjelic, S., Protein carriers for passage of the blood–brain barrier, Annual meeting of Swedish Chemical Soceiety Theoretical Chemistry Section
Invited Speaker

2012
Nivon, L., Bjelic, S., Baker, D., Michael, F., Rosewall, C., Lovick, H., Seetharaman, J., Lew, S., & Montelione, G. (2012) Computational Design of enone-binding proteins with catalytic activity for the Morita-Baylis-Hillman reaction, 26th Annual Symposium of the Protein-Society.

2012
Celebi-Olcum, N., Kiss, G., Nivon, L., Bjelic, S., Baker, D., & Houk, K.N. (2012) Towards the computational design of Baylis-Hillmanases, 243rd National Spring Meeting of the ACS.

2008
Bjelic, S., Brandsdal, B., & Åqvist, J. (2008) Cold and heat adaptation of citrate synthase: Effects on the general base catalyzed keto-enol isomerization step, 236th National Meeting of the ACS.

2008
Carlsson, J., Bjelic, S., Almlof, M., & Åqvist, J. (2008) High-throughput MD simulations for predicting ligand binding affinities and thermodynamic parameters, 236th National Meeting of the ACS.

2005
Bjelic, S. & Åqvist, J. (2005) Computational prediction of structure, substrate binding mode, and rate for a malaria protease with a novel type of active site mechanism, 229th National Meeting of the ACS.