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Bioinformatics Training

 

PhD candidate, Cambridge University / ETH Zurich

Biography

I studied Chemistry and Pharmaceutical Sciences. Currently, I am a PhD candidate at the University of Cambridge in Protein Chemistry and Protein Design. I've always been really fascinated by the interactions of substrates and the active site of proteins. I still remember when my biology teacher explained the concept and I was really excited about it. This is the kind of passion that young scientists and even non-scientists should receive from their teachers. I enjoy teaching concepts of biology and chemistry, as well as pharmaceutical and medical sciences. 

Publications

Key publications: 

Reprogramming Nonribosomal Peptide Synthetases for Site-Specific Insertion of α-Hydroxy Acids

A Camus, G Truong, PRE Mittl, G Markert, D Hilvert

Journal of the American Chemical Society 144 (38), 17567-17575

2022


On the automation of de-novo molecular design and chemical synthesis planning: A case study on SARS-CoV-2

J Born, M Manica, J Cadow, G Markert, NA Mill, M Filipavicius, ...

American Chemical Society (ACS) Fall Meeting

2021


PaccMannRL: De novo generation of hit-like anticancer molecules from transcriptomic data via reinforcement learning

J Born, M Manica, A Oskooei, J Cadow, G Markert, MR Martínez

Iscience 24 (4), 102269

2021


Cover Feature: Prediction of Spin Density, Baird‐Antiaromaticity, and Singlet–Triplet Energy Gap in Triplet‐State Polybenzenoid Systems from Simple Structural Motifs (Chem. Eur …

G Markert, E Paenurk, R Gershoni‐Poranne

Chemistry–A European Journal 27 (23), 6818-6818

2021


Prediction of Spin Density, Baird‐Antiaromaticity, and Singlet–Triplet Energy Gap in Triplet‐State Polybenzenoid Systems from Simple Structural Motifs

G Markert, E Paenurk, R Gershoni‐Poranne

Chemistry–A European Journal 27 (23), 6923-6935

2021


Data-driven molecular design for discovery and synthesis of novel ligands: a case study on SARS-CoV-2

J Born, M Manica, J Cadow, G Markert, NA Mill, M Filipavicius, ...

Machine Learning: Science and Technology 2 (2), 025024

2021


PaccMann on SARS-CoV-2: Designing antiviral candidates with conditional generative models

J Born, M Manica, J Cadow, G Markert, NA Mill, M Filipavicius, ...

arXiv preprint arXiv:2005.13285

2020


Targeted design of antiviral compounds against SARS-CoV-2 with conditional generative models

J Born, M Manica, J Cadow, G Markert, NA Mill, M Filipavicius, ...

2020


PaccMann$

J Born, M Manica, J Cadow, G Markert, NA Mill, M Filipavicius, ...

2020


Chemical representation learning for toxicity prediction

G Markert, J Born, M Manica, G Schneider, M Rodriguez Martinez

PharML Workshop at ECML-PKDD (European Conference on Machine Learning and …

2020

Teaching and Supervisions

Teaching: 

 

2021/2022:

  • Introduction to working with UNIX and bash - Trainer
  • High Performance Computing: An Introduction - Trainer
Greta Markert

Contact Details

Cancer Research UK Cambridge Institute
University of Cambridge
Li Ka Shing Centre
Robinson Way
Cambridge
CB2 0RE