Florian Flachsenberg

Hamburg, HH 22761, Germany

Last Updated: 09/26/2026

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Found 22 publications

PegaPlus─Interactive Machine Learning by Human Observation for Efficient Clustering and Analysis of Structure-Activity Data.

PegaPlus─Interactive Machine Learning by Human Observation for Efficient Clustering and Analysis of Structure-Activity Data.

Journal: Journal of chemical information and modeling
Published: June 23, 2026

Enabling Automatic Generation of Protein-Ligand Complex Data Sets with Atomistic Detail.

Enabling Automatic Generation of Protein-Ligand Complex Data Sets with Atomistic Detail.

Journal: Journal of chemical information and modeling
Published: May 08, 2026

Redocking the PDB.

Redocking the PDB.

Journal: Journal of chemical information and modeling
Published: December 18, 2023

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

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

Journal: Journal of computer-aided molecular design
Published: December 18, 2023

LifeSoaks: a tool for analyzing solvent channels in protein crystals and obstacles for soaking experiments.

LifeSoaks: a tool for analyzing solvent channels in protein crystals and obstacles for soaking experiments.

Journal: Acta crystallographica. Section D, Structural biology
Published: April 27, 2023

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

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

Journal: Journal of computer-aided molecular design
Published: June 08, 2022

ProteinsPlus: a comprehensive collection of web-based molecular modeling tools.

ProteinsPlus: a comprehensive collection of web-based molecular modeling tools.

Journal: Nucleic acids research
Published: February 26, 2022

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

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

Journal: Journal of computational chemistry
Published: January 12, 2021

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

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

Journal: Journal of chemical information and modeling
Published: December 01, 2020

ProteinsPlus: interactive analysis of protein-ligand binding interfaces.

ProteinsPlus: interactive analysis of protein-ligand binding interfaces.

Journal: Nucleic acids research
Published: February 12, 2020

Structural and biophysical characterization of the type VII collagen vWFA2 subdomain leads to identification of two binding sites.

Structural and biophysical characterization of the type VII collagen vWFA2 subdomain leads to identification of two binding sites.

Journal: FEBS open bio
Published: December 13, 2019

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

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

Journal: Journal of chemical information and modeling
Published: March 06, 2019
Showing 1-12 of 22

Last Updated: 09/26/2026