Christoph Grebner

According to our database, Christoph Grebner authored at least 10 papers between 2011 and 2024.

Collaborative distances:

• Dijkstra number of four.
• Erdős number of three.

2024

Many-Shot In-Context Learning for Molecular Inverse Design.

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

CoRR, 2024

2023

Integrating Reaction Schemes, Reagent Databases, and Virtual Libraries into Fragment-Based Design by Reinforcement Learning.

Susanne Sauer, Hans Matter, Gerhard Hessler, Christoph Grebner

J. Chem. Inf. Model., September, 2023

2022

Interpretation of Structure-Activity Relationships in Real-World Drug Design Data Sets Using Explainable Artificial Intelligence.

Tobias Harren, Hans Matter, Gerhard Hessler, Matthias Rarey, Christoph Grebner

J. Chem. Inf. Model., 2022

2020

Virtual Screening in the Cloud: How Big Is Big Enough?

Christoph Grebner, Erik Malmerberg, Andrew Shewmaker, José Batista, Anthony Nicholls, Jens Sadowski

J. Chem. Inf. Model., 2020

2016

Binding Mode and Induced Fit Predictions for Prospective Computational Drug Design.

Christoph Grebner, Jessica Iegre, Johan Ulander, Karl Edman, Anders Hogner, Christian Tyrchan

J. Chem. Inf. Model., 2016

2015

Molecular Rift: Virtual Reality for Drug Designers.

Magnus Norrby, Christoph Grebner, Joakim Eriksson, Jonas Boström

J. Chem. Inf. Model., 2015

2014

CAST: A new program package for the accurate characterization of large and flexible molecular systems.

Christoph Grebner, Johannes Becker, Daniel Weber, Daniel Bellinger, Maxim Tafipolski, Charlotte Brückner, Bernd Engels

J. Comput. Chem., 2014

2013

PathOpt - A global transition state search approach: Outline of algorithm.

Christoph Grebner, Lukas P. Pason, Bernd Engels

J. Comput. Chem., 2013

2012

Tabu search based global optimization algorithms for problems in computational chemistry.

Christoph Grebner, Johannes Becker, Daniel Weber, Bernd Engels

J. Cheminformatics, 2012

2011

Efficiency of tabu-search-based conformational search algorithms.

Christoph Grebner, Johannes Becker, Svetlana Stepanenko, Bernd Engels

J. Comput. Chem., 2011