Florian Flachsenberg

According to our database, Florian Flachsenberg authored at least 16 papers between 2016 and 2024.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of four.

2024

SpaceGrow: efficient shape-based virtual screening of billion-sized combinatorial fragment spaces.

Sophia M. N. Hönig, Florian Flachsenberg, Christiane Ehrt, Alexander Neumann, Robert Schmidt, Christian Lemmen, Matthias Rarey

J. Comput. Aided Mol. Des., December, 2024

Redocking the PDB.

Florian Flachsenberg, Christiane Ehrt, Torben Gutermuth, Matthias Rarey

J. Chem. Inf. Model., January, 2024

2022

Proteins<i>Plus</i>: a comprehensive collection of web-based molecular modeling tools.

Katrin Schöning-Stierand, Konrad Diedrich, Christiane Ehrt, Florian Flachsenberg, Joel Graef, Jochen Sieg, Patrick Penner, Martin Poppinga, Annett Ungethüm, Matthias Rarey

Nucleic Acids Res., 2022

FastGrow: on-the-fly growing and its application to DYRK1A.

Patrick Penner, Virginie Y. Martiny, Louis Bellmann, Florian Flachsenberg, Marcus Gastreich, Isabelle Theret, Christophe Meyer, Matthias Rarey

J. Comput. Aided Mol. Des., 2022

2021

LSLOpt: An open-source implementation of the step-length controlled LSL-BFGS algorithm.

Florian Flachsenberg, Matthias Rarey

J. Comput. Chem., 2021

2020

Proteins<i>Plus</i>: interactive analysis of protein-ligand binding interfaces.

Katrin Schöning-Stierand, Konrad Diedrich, Rainer Fährrolfes, Florian Flachsenberg, Agnes Meyder, Eva Nittinger, Ruben Steinegger, Matthias Rarey

Nucleic Acids Res., 2020

A Consistent Scheme for Gradient-Based Optimization of Protein-Ligand Poses.

Florian Flachsenberg, Agnes Meyder, Kai Sommer, Patrick Penner, Matthias Rarey

J. Chem. Inf. Model., 2020

2019

In Need of Bias Control: Evaluating Chemical Data for Machine Learning in Structure-Based Virtual Screening.

Jochen Sieg, Florian Flachsenberg, Matthias Rarey

J. Chem. Inf. Model., 2019

Conformator: A Novel Method for the Generation of Conformer Ensembles.

Nils-Ole Friedrich, Florian Flachsenberg, Agnes Meyder, Kai Sommer, Johannes Kirchmair, Matthias Rarey

J. Chem. Inf. Model., 2019

StructureProfiler: an all-in-one tool for 3D protein structure profiling.

Agnes Meyder, Stefanie Kampen, Jochen Sieg, Rainer Fährrolfes, Nils-Ole Friedrich, Florian Flachsenberg, Matthias Rarey

Bioinform., 2019

2018

Placement of Water Molecules in Protein Structures: From Large-Scale Evaluations to Single-Case Examples.

Eva Nittinger, Florian Flachsenberg, Stefan Bietz, Gudrun Lange, Robert Klein, Matthias Rarey

J. Chem. Inf. Model., 2018

2017

Benchmarking Commercial Conformer Ensemble Generators.

Nils-Ole Friedrich, Christina de Bruyn Kops, Florian Flachsenberg, Kai Sommer, Matthias Rarey, Johannes Kirchmair

J. Chem. Inf. Model., November, 2017

ProteinsPlus: a web portal for structure analysis of macromolecules.

Rainer Fährrolfes, Stefan Bietz, Florian Flachsenberg, Agnes Meyder, Eva Nittinger, Thomas Otto, Andrea Volkamer, Matthias Rarey

Nucleic Acids Res., 2017

High-Quality Dataset of Protein-Bound Ligand Conformations and Its Application to Benchmarking Conformer Ensemble Generators.

Nils-Ole Friedrich, Agnes Meyder, Christina de Bruyn Kops, Kai Sommer, Florian Flachsenberg, Matthias Rarey, Johannes Kirchmair

J. Chem. Inf. Model., 2017

RingDecomposerLib: An Open-Source Implementation of Unique Ring Families and Other Cycle Bases.

Florian Flachsenberg, Niek Andresen, Matthias Rarey

J. Chem. Inf. Model., 2017

2016

Feasibility of Active Machine Learning for Multiclass Compound Classification.

Tobias Lang, Florian Flachsenberg, Ulrike von Luxburg, Matthias Rarey

J. Chem. Inf. Model., 2016