research:julian_zaugg

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research:julian_zaugg [2017/12/04 13:50] – julianresearch:julian_zaugg [2017/12/13 15:12] – julian
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 LinkedIn: [[https://www.linkedin.com/in/julian-zaugg-49013646/|julianzaugg]]\\ LinkedIn: [[https://www.linkedin.com/in/julian-zaugg-49013646/|julianzaugg]]\\
 Github: [[https://github.com/julianzaugg|julianzaugg]]\\ Github: [[https://github.com/julianzaugg|julianzaugg]]\\
-{{ :research:zaugg_cv.pdf | My CV}}+{{ :research:zaugg_cv2.pdf | My CV}}
  
 My thesis has focused on how experimental data produced from protein engineering studies could be complemented by computational and statistical methods to predict beneficial mutations and understand protein function. Using sequence, structural and biochemical data for the epoxide hydrolase from the fungus //Aspergillus niger// (//An//EH) as a model system, I have implemented contrasting machine learning methods, i.e. //generative// vs //discriminative//, to predict selectivity-enhancing mutations. I have also applied molecular modelling methods such as docking, molecular dynamics and free energy calculations to determine the effect of ligand binding and multiple reaction pathways on the enantioselectivity of //An//EH. My thesis has focused on how experimental data produced from protein engineering studies could be complemented by computational and statistical methods to predict beneficial mutations and understand protein function. Using sequence, structural and biochemical data for the epoxide hydrolase from the fungus //Aspergillus niger// (//An//EH) as a model system, I have implemented contrasting machine learning methods, i.e. //generative// vs //discriminative//, to predict selectivity-enhancing mutations. I have also applied molecular modelling methods such as docking, molecular dynamics and free energy calculations to determine the effect of ligand binding and multiple reaction pathways on the enantioselectivity of //An//EH.
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 // Publications //\\ // Publications //\\
 **Zaugg J.**, Gumulya Y., Gillam E. M. J. and Bodén M., //Computational Tools for Directed Evolution: a Comparison of Prospective and Retrospective Strategies//. Methods in Molecular Biology, __2014__, 1179, 315-333.\\ **Zaugg J.**, Gumulya Y., Gillam E. M. J. and Bodén M., //Computational Tools for Directed Evolution: a Comparison of Prospective and Retrospective Strategies//. Methods in Molecular Biology, __2014__, 1179, 315-333.\\
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 +**Zaugg J.**, Gumulya Y., Malde A. K. and Bodén M., //Learning Epistatic Interactions from Sequence-Activity Data to Predict Enantioselectivity//, __2017__ , doi:10.1007/s10822-017-0090-x
  
 **Zaugg J.**, Gumulya Y., Mark A. E., Bodén M. and Malde A. K., //The Effect of Binding on the Enantioselectivity of an Epoxide Hydrolase//, __2017__ [Under revision]\\ **Zaugg J.**, Gumulya Y., Mark A. E., Bodén M. and Malde A. K., //The Effect of Binding on the Enantioselectivity of an Epoxide Hydrolase//, __2017__ [Under revision]\\
  
-**Zaugg J.**, Gumulya Y., Malde A. K. and Bodén M., //Learning Epistatic Interactions from Sequence-Activity Data to Predict Enantioselectivity//, __2017__ [Accepted] 
  • research/julian_zaugg.txt
  • Last modified: 2019/03/26 12:45
  • by julian