Christoph Gorgulla

8PUBLICATIONS
52CO-AUTHORS
Evolutionary computationBiomolecular modelling and designMolecular targetsComputer aided designArtificial life and complex adaptive systems
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Publications (8)

|Sep 02, 2026
AI-enhanced adaptive virtual screening of large libraries for ligand discovery.

|Apr 03, 2026
AI-Enhanced Adaptive Virtual Screening Platform Enabling Exploration of 69 Billion Molecules Discovers Structurally Validated FSP1 Inhibitors.

Domiziana Cecchini, AkshatKumar Nigam, Ming Tang

|Nov 28, 2025
Structural pharmacology of SV2A reveals an allosteric modulation mechanism in the major facilitator superfamily.

Shabareesh Pidathala, Xiao Chen, Yaxin Dai

|Jan 22, 2025
Quantum-computing-enhanced algorithm unveils potential KRAS inhibitors.

Mohammad Ghazi Vakili, Christoph Gorgulla, Jamie Snider

|Oct 26, 2023
Targeting ROS production through inhibition of NADPH oxidases.

Joana Reis, Christoph Gorgulla, Marta Massari

|Oct 25, 2021
Accounting of Receptor Flexibility in Ultra-Large Virtual Screens with VirtualFlow Using a Grey Wolf Optimization Method.

Christoph Gorgulla, Konstantin Fackeldey, Gerhard Wagner

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Frequent Collaborators

5 joint publications

Haribabu Arthanari

3 joint publications

Andrea Mattevi

3 joint publications

Konstantin Fackeldey

3 joint publications

Gerhard Wagner