Florian Flachsenberg

16 papers Journal 16
YearRankTypeTitle / Venue / Authors
2024 J jnl
Redocking the PDB.
J. Chem. Inf. Model.
Florian Flachsenberg, Christiane Ehrt, Torben Gutermuth, Matthias Rarey
2024 J jnl
SpaceGrow: efficient shape-based virtual screening of billion-sized combinatorial fragment spaces.
J. Comput. Aided Mol. Des.
Sophia M. N. Hönig, Florian Flachsenberg, Christiane Ehrt, Alexander Neumann, Robert Schmidt, Christian Lemmen, Matthias Rarey
2022 J jnl
FastGrow: on-the-fly growing and its application to DYRK1A.
J. Comput. Aided Mol. Des.
Patrick Penner, Virginie Y. Martiny, Louis Bellmann, Florian Flachsenberg, Marcus Gastreich, Isabelle Theret, Christophe Meyer, Matthias Rarey
2022 J jnl
Proteins
Nucleic Acids Res.
Katrin Schöning-Stierand, Konrad Diedrich, Christiane Ehrt, Florian Flachsenberg, Joel Graef, Jochen Sieg, Patrick Penner, Martin Poppinga, Annett Ungethüm, Matthias Rarey
2021 J jnl
LSLOpt: An open-source implementation of the step-length controlled LSL-BFGS algorithm.
J. Comput. Chem.
Florian Flachsenberg, Matthias Rarey
2020 J jnl
A Consistent Scheme for Gradient-Based Optimization of Protein-Ligand Poses.
J. Chem. Inf. Model.
Florian Flachsenberg, Agnes Meyder, Kai Sommer, Patrick Penner, Matthias Rarey
2020 J jnl
Proteins
Nucleic Acids Res.
Katrin Schöning-Stierand, Konrad Diedrich, Rainer Fährrolfes, Florian Flachsenberg, Agnes Meyder, Eva Nittinger, Ruben Steinegger, Matthias Rarey
2019 J jnl
Conformator: A Novel Method for the Generation of Conformer Ensembles.
J. Chem. Inf. Model.
Nils-Ole Friedrich, Florian Flachsenberg, Agnes Meyder, Kai Sommer, Johannes Kirchmair, Matthias Rarey
2019 J jnl
In Need of Bias Control: Evaluating Chemical Data for Machine Learning in Structure-Based Virtual Screening.
J. Chem. Inf. Model.
Jochen Sieg, Florian Flachsenberg, Matthias Rarey
2019 J jnl
StructureProfiler: an all-in-one tool for 3D protein structure profiling.
Bioinform.
Agnes Meyder, Stefanie Kampen, Jochen Sieg, Rainer Fährrolfes, Nils-Ole Friedrich, Florian Flachsenberg, Matthias Rarey
2018 J jnl
Placement of Water Molecules in Protein Structures: From Large-Scale Evaluations to Single-Case Examples.
J. Chem. Inf. Model.
Eva Nittinger, Florian Flachsenberg, Stefan Bietz, Gudrun Lange, Robert Klein, Matthias Rarey
2017 J jnl
Benchmarking Commercial Conformer Ensemble Generators.
J. Chem. Inf. Model.
Nils-Ole Friedrich, Christina de Bruyn Kops, Florian Flachsenberg, Kai Sommer, Matthias Rarey, Johannes Kirchmair
2017 J jnl
High-Quality Dataset of Protein-Bound Ligand Conformations and Its Application to Benchmarking Conformer Ensemble Generators.
J. Chem. Inf. Model.
Nils-Ole Friedrich, Agnes Meyder, Christina de Bruyn Kops, Kai Sommer, Florian Flachsenberg, Matthias Rarey, Johannes Kirchmair
2017 J jnl
ProteinsPlus: a web portal for structure analysis of macromolecules.
Nucleic Acids Res.
Rainer Fährrolfes, Stefan Bietz, Florian Flachsenberg, Agnes Meyder, Eva Nittinger, Thomas Otto, Andrea Volkamer, Matthias Rarey
2017 J jnl
RingDecomposerLib: An Open-Source Implementation of Unique Ring Families and Other Cycle Bases.
J. Chem. Inf. Model.
Florian Flachsenberg, Niek Andresen, Matthias Rarey
2016 J jnl
Feasibility of Active Machine Learning for Multiclass Compound Classification.
J. Chem. Inf. Model.
Tobias Lang, Florian Flachsenberg, Ulrike von Luxburg, Matthias Rarey