Innophore team
The Team

The minds behind the molecular search engine

Innophore started with a handful of researchers in Graz. Today we are a larger, interdisciplinary team working at the interface of biology, chemistry, physics and computer science. Senior and early-career researchers work on the same problems, and both show up across our publications.

One Team, Many Disciplines

The mix of skills it takes.

Reading a binding site takes more than one kind of expert. Our team combines several specialties, and each one is needed to get from a raw structure to an answer a partner can use.

Structural bioinformatics

Reading the structure

Point-cloud cavity analysis and proteome-scale structure prediction with AlphaFold 2, OpenFold and ESMFold. This is the science at the core of Catalophore™ and CavitOmiX.

AI & machine learning

Reasoning over it

Deep learning for proteins, molecular-dynamics-guided design, binding-affinity prediction and AI-guided ligand modification.

High-performance computing

Running it at scale

Clusters of about 6,500 CPUs, cloud on AWS and Google Cloud, and GPU acceleration with NVIDIA, including hand-tuned CUDA down to the assembly level.

Biocatalysis & green chemistry

Putting enzymes to work

Enzyme discovery and engineering, biocatalytic cascades and the use of renewable feedstocks for more sustainable chemistry.

Chemistry & molecular biology

Getting the chemistry right

(Bio)organic chemistry, structural biology and protein characterization, with ligand preparation based on explicit, validated chemistry rather than models that only look plausible.

Strategy & operations

Turning science into delivery

Biotech venture management, corporate finance, project leadership and client partnerships that carry a result from the lab to the partner.

How We Work

We solve problems collaboratively.

Each problem deserves its own solution. Our specialists sit at the same table, so a structure can move from prediction to interpretation to design without ever leaving the team.

  • Interdisciplinary by default. Biologists, chemists, physicists and computer scientists working the same problem from different angles.
  • Grounded in science. Every method traces back to peer-reviewed, reproducible work, starting with our founding Nature Communications paper.
  • Built for partners. Scientists who also manage projects and client collaborations, end to end.
  • Trained at the top. Degrees, postdocs and group leadership earned at world-leading universities and research institutes across Europe and the US.

Top institutions. Our people studied, did research and taught at places like The Scripps Research Institute, KTH Stockholm, Manchester, Vienna, Stuttgart and Graz. The full list is on the right, and that training is what the platform is built on.

It also shapes how we work: we check the methods and the chemistry instead of trusting a result at face value.

Trained where the science is made

The Scripps Research Institute KTH Royal Institute of Technology University of Manchester University of California, Irvine University of Vienna University of Stuttgart Sapienza University of Rome University of Graz University of Innsbruck Graz University of Technology University of Trieste Manchester Institute of Biotechnology Cluster of Excellence SimTech, Stuttgart Institute of Technical Biochemistry, Stuttgart Austrian Centre for Industrial Biotechnology (acib) Applied Biocatalysis Competence Center Materials Center Leoben International University of Sarajevo John Paul II Catholic University of Lublin FH Joanneum
Meet the Team

The people behind the platform.

A growing, interdisciplinary group, from founders to early-career researchers, based in Graz and beyond.

Dr. Christian Gruber

Dr. Christian Gruber

CEO

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Dr. Georg Steinkellner

Dr. Georg Steinkellner

CTO

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PD Dr. Bettina Nestl

PD Dr. Bettina Nestl

COO

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Prof. Karl Gruber

Prof. Karl Gruber

CSO

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Christoph Blaschitz, MSc.

Christoph Blaschitz, MSc.

CFO

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Dr. Marco Cespugli

Dr. Marco Cespugli

Head of Structural Bioinformatics

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Dr. Bernd Nebel

Dr. Bernd Nebel

Senior Scientist and Product/Project Manager

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Chiara Gasbarri, MSc

Chiara Gasbarri, MSc

Structural Bioinformatician and Product Specialist

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Dr. Stefan Grabuschnig

Dr. Stefan Grabuschnig

Data Scientist and Solutions Engineer

Dr. Michael Hetmann

Dr. Michael Hetmann

Structural Bioinformatician and Product Specialist

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Dr. Ursula Kahler

Dr. Ursula Kahler

Scientist and Product Specialist

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Katharina Köchl, MSc

Katharina Köchl, MSc

Scientist and Product Specialist

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Tobias Schopper

Tobias Schopper

Senior Machine Learning Engineer

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Dr. Markus Fleck

Dr. Markus Fleck

Senior Machine Learning Engineer

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Dr. Lena Parigger

Dr. Lena Parigger

Scientist and Product Owner

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Haris Rudalija, MSc

Haris Rudalija, MSc

Junior Software Engineer

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Christoph Samonigg

Christoph Samonigg

Machine Learning Engineer

Daniel Nutz

Daniel Nutz

Software Engineer and Data Scientist

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Collective Expertise

The skills in the room.

A snapshot of what our team works in, every day.

Computation & AI
Structural bioinformatics 3D point clouds Protein structure prediction AlphaFold 2 · ESMFold · OpenFold Deep learning Computer vision Molecular dynamics GPU · CUDA (to PTX) High-performance computing Configurational entropy Alchemical free-energy methods Cloud (AWS · GCP)
Chemistry & biology
Biocatalysis Enzyme engineering (Bio)organic chemistry Structural biology Cavity-based screening Peroxygenases Imine reductases Photodecarboxylases Drug repurposing Off-target screening Antiviral discovery Cheminformatics (RDKit)
Business & delivery
Biotech venture management Corporate finance Project leadership Client partnerships Scientific publishing University lecturing
Work With Us

Bring us a hard problem.

Whether you want this team on your pipeline or want to be part of it, we would like to hear from you.

For partners

Put the team to work

Tell us your challenge. We’ll put together the right mix of specialists for your target or series.

Start a conversation
For scientists & engineers

Join the team

We’re always interested in exceptional people at the interface of biology, chemistry, physics and computing.

Say hello