Christoph Grebner

Publication Activity (10 Years)

Years Active: 2011-2024
Publications (10 Years): 6

Top Topics

Virtual Screening

Protein Protein Interactions

Top Venues

J. Chem. Inf. Model.

J. Comput. Chem.

Publications

Saeed Moayedpour, Alejandro Corrochano-Navarro, Faryad Sahneh, Shahriar Noroozizadeh, Alexander Koetter, Jiri Vymetal, Lorenzo Kogler-Anele, Pablo Mas, Yasser Jangjou, Sizhen Li, Michael Bailey, Marc Bianciotto, Hans Matter, Christoph Grebner, Gerhard Hessler, Ziv Bar-Joseph, Sven Jager
Many-Shot In-Context Learning for Molecular Inverse Design. CoRR (2024)
Susanne Sauer, Hans Matter, Gerhard Hessler, Christoph Grebner
Integrating Reaction Schemes, Reagent Databases, and Virtual Libraries into Fragment-Based Design by Reinforcement Learning. J. Chem. Inf. Model. 63 (18) (2023)
Tobias Harren, Hans Matter, Gerhard Hessler, Matthias Rarey, Christoph Grebner
Interpretation of Structure-Activity Relationships in Real-World Drug Design Data Sets Using Explainable Artificial Intelligence. J. Chem. Inf. Model. 62 (3) (2022)
Christoph Grebner, Erik Malmerberg, Andrew Shewmaker, José Batista, Anthony Nicholls, Jens Sadowski
Virtual Screening in the Cloud: How Big Is Big Enough? J. Chem. Inf. Model. 60 (9) (2020)
Christoph Grebner, Jessica Iegre, Johan Ulander, Karl Edman, Anders Hogner, Christian Tyrchan
Binding Mode and Induced Fit Predictions for Prospective Computational Drug Design. J. Chem. Inf. Model. 56 (4) (2016)
Magnus Norrby, Christoph Grebner, Joakim Eriksson, Jonas Boström
Molecular Rift: Virtual Reality for Drug Designers. J. Chem. Inf. Model. 55 (11) (2015)
Christoph Grebner, Johannes Becker, Daniel Weber, Daniel Bellinger, Maxim Tafipolski, Charlotte Brückner, Bernd Engels
CAST: A new program package for the accurate characterization of large and flexible molecular systems. J. Comput. Chem. 35 (24) (2014)
Christoph Grebner, Lukas P. Pason, Bernd Engels
PathOpt - A global transition state search approach: Outline of algorithm. J. Comput. Chem. 34 (21) (2013)
Christoph Grebner, Johannes Becker, Daniel Weber, Bernd Engels
Tabu search based global optimization algorithms for problems in computational chemistry. J. Cheminformatics 4 (S-1) (2012)
Christoph Grebner, Johannes Becker, Svetlana Stepanenko, Bernd Engels
Efficiency of tabu-search-based conformational search algorithms. J. Comput. Chem. 32 (10) (2011)