Florian Flachsenberg

Publication Activity (10 Years)

Years Active: 2016-2024
Publications (10 Years): 16

Top Topics

Virtual Screening

Protein Structure

Top Venues

J. Chem. Inf. Model.

Nucleic Acids Res.

J. Comput. Aided Mol. Des.

Publications

Sophia M. N. Hönig, Florian Flachsenberg, Christiane Ehrt, Alexander Neumann, Robert Schmidt, Christian Lemmen, Matthias Rarey
SpaceGrow: efficient shape-based virtual screening of billion-sized combinatorial fragment spaces. J. Comput. Aided Mol. Des. 38 (1) (2024)
Florian Flachsenberg, Christiane Ehrt, Torben Gutermuth, Matthias Rarey
Redocking the PDB. J. Chem. Inf. Model. 64 (1) (2024)
Patrick Penner, Virginie Y. Martiny, Louis Bellmann, Florian Flachsenberg, Marcus Gastreich, Isabelle Theret, Christophe Meyer, Matthias Rarey
FastGrow: on-the-fly growing and its application to DYRK1A. J. Comput. Aided Mol. Des. 36 (9) (2022)
Katrin Schöning-Stierand, Konrad Diedrich, Christiane Ehrt, Florian Flachsenberg, Joel Graef, Jochen Sieg, Patrick Penner, Martin Poppinga, Annett Ungethüm, Matthias Rarey
: a comprehensive collection of web-based molecular modeling tools. Nucleic Acids Res. 50 (W1) (2022)
Florian Flachsenberg, Matthias Rarey
LSLOpt: An open-source implementation of the step-length controlled LSL-BFGS algorithm. J. Comput. Chem. 42 (15) (2021)
Florian Flachsenberg, Agnes Meyder, Kai Sommer, Patrick Penner, Matthias Rarey
A Consistent Scheme for Gradient-Based Optimization of Protein-Ligand Poses. J. Chem. Inf. Model. 60 (12) (2020)
Katrin Schöning-Stierand, Konrad Diedrich, Rainer Fährrolfes, Florian Flachsenberg, Agnes Meyder, Eva Nittinger, Ruben Steinegger, Matthias Rarey
: interactive analysis of protein-ligand binding interfaces. Nucleic Acids Res. 48 (Webserver-Issue) (2020)
Jochen Sieg, Florian Flachsenberg, Matthias Rarey
In Need of Bias Control: Evaluating Chemical Data for Machine Learning in Structure-Based Virtual Screening. J. Chem. Inf. Model. 59 (3) (2019)
Agnes Meyder, Stefanie Kampen, Jochen Sieg, Rainer Fährrolfes, Nils-Ole Friedrich, Florian Flachsenberg, Matthias Rarey
StructureProfiler: an all-in-one tool for 3D protein structure profiling. Bioinform. 35 (5) (2019)
Nils-Ole Friedrich, Florian Flachsenberg, Agnes Meyder, Kai Sommer, Johannes Kirchmair, Matthias Rarey
Conformator: A Novel Method for the Generation of Conformer Ensembles. J. Chem. Inf. Model. 59 (2) (2019)
Eva Nittinger, Florian Flachsenberg, Stefan Bietz, Gudrun Lange, Robert Klein, Matthias Rarey
Placement of Water Molecules in Protein Structures: From Large-Scale Evaluations to Single-Case Examples. J. Chem. Inf. Model. 58 (8) (2018)
Nils-Ole Friedrich, Christina de Bruyn Kops, Florian Flachsenberg, Kai Sommer, Matthias Rarey, Johannes Kirchmair
Benchmarking Commercial Conformer Ensemble Generators. J. Chem. Inf. Model. 57 (11) (2017)
Rainer Fährrolfes, Stefan Bietz, Florian Flachsenberg, Agnes Meyder, Eva Nittinger, Thomas Otto, Andrea Volkamer, Matthias Rarey
ProteinsPlus: a web portal for structure analysis of macromolecules. Nucleic Acids Res. 45 (Webserver-Issue) (2017)
Florian Flachsenberg, Niek Andresen, Matthias Rarey
RingDecomposerLib: An Open-Source Implementation of Unique Ring Families and Other Cycle Bases. J. Chem. Inf. Model. 57 (2) (2017)
Nils-Ole Friedrich, Agnes Meyder, Christina de Bruyn Kops, Kai Sommer, Florian Flachsenberg, Matthias Rarey, Johannes Kirchmair
High-Quality Dataset of Protein-Bound Ligand Conformations and Its Application to Benchmarking Conformer Ensemble Generators. J. Chem. Inf. Model. 57 (3) (2017)
Tobias Lang, Florian Flachsenberg, Ulrike von Luxburg, Matthias Rarey
Feasibility of Active Machine Learning for Multiclass Compound Classification. J. Chem. Inf. Model. 56 (1) (2016)