Christoph Gorgulla

Free Energy Methods Involving Quantum Physics, Path Integrals, and VirtualScreenings: Development, Implementation and Application in Drug Discovery

Christoph Gorgulla, 2018 .

A Multi-Pronged Approach Targeting SARS-CoV-2 Proteins Using Ultra-Large Virtual Screening.

Konstantin Fackeldey, Jamie Kinney, Gerhard Wagner, 2020, ChemRxiv : the preprint server for chemistry.

Virtual flow: A flexible workflow system for virtual screening procedures on high-performance computers

Christoph Gorgulla, 2017 .

An open-source drug discovery platform enables ultra-large virtual screens

David A. Scott, Moritz Hoffmann, Konstantin Fackeldey, 2020, Nature.

Accounting of Receptor Flexibility in Ultra-Large Virtual Screens with VirtualFlow Using a Grey Wolf Optimization Method

Konstantin Fackeldey, Haribabu Arthanari, Gerhard Wagner, 2020, Supercomput. Front. Innov..

A Multi-Pronged Approach Targeting SARS-CoV-2 Proteins Using Ultra-Large Virtual Screening. Gorgulla et al.

Christoph Gorgulla, 2021 .