Konstantin Fackeldey

Berlin, BE, Germany

Last Updated: 09/26/2026

Save publications for later

Sign Up

Not sure about your diagnosis?

Check Your Symptoms

Found 21 publications

AI-Enhanced Adaptive Virtual Screening Platform Enabling Exploration of 69 Billion Molecules Discovers Structurally Validated FSP1 Inhibitors.

AI-Enhanced Adaptive Virtual Screening Platform Enabling Exploration of 69 Billion Molecules Discovers Structurally Validated FSP1 Inhibitors.

Journal: bioRxiv : the preprint server for biology

Published: April 03, 2026

Investigating Endogenous Opioids Unravels the Mechanisms Behind Opioid-Induced Constipation, a Mathematical Modeling Approach.

Investigating Endogenous Opioids Unravels the Mechanisms Behind Opioid-Induced Constipation, a Mathematical Modeling Approach.

Journal: International journal of molecular sciences

Published: May 30, 2025

AI-enhanced adaptive virtual screening of large libraries for ligand discovery.

AI-enhanced adaptive virtual screening of large libraries for ligand discovery.

Journal: Nature biotechnology

Published: May 08, 2025

Multi-Input data ASsembly for joint Analysis (MIASA): A framework for the joint analysis of disjoint sets of variables.

Multi-Input data ASsembly for joint Analysis (MIASA): A framework for the joint analysis of disjoint sets of variables.

Journal: PloS one

Published: November 01, 2023

A community effort in SARS-CoV-2 drug discovery.

A community effort in SARS-CoV-2 drug discovery.

Journal: Molecular informatics

Published: September 29, 2023

Novel multi-objective affinity approach allows to identify pH-specific μ-opioid receptor agonists.

Novel multi-objective affinity approach allows to identify pH-specific μ-opioid receptor agonists.

Journal: Journal of cheminformatics

Published: April 12, 2023

Emerging frontiers in virtual drug discovery: From quantum mechanical methods to deep learning approaches.

Emerging frontiers in virtual drug discovery: From quantum mechanical methods to deep learning approaches.

Journal: Current opinion in chemical biology

Published: November 05, 2021

Accounting of Receptor Flexibility in Ultra-Large Virtual Screens with VirtualFlow Using a Grey Wolf Optimization Method.

Accounting of Receptor Flexibility in Ultra-Large Virtual Screens with VirtualFlow Using a Grey Wolf Optimization Method.

Journal: Supercomputing frontiers and innovations

Published: October 25, 2021

VirtualFlow Ants-Ultra-Large Virtual Screenings with Artificial Intelligence Driven Docking Algorithm Based on Ant Colony Optimization.

VirtualFlow Ants-Ultra-Large Virtual Screenings with Artificial Intelligence Driven Docking Algorithm Based on Ant Colony Optimization.

Journal: International journal of molecular sciences

Published: April 20, 2021

A multi-pronged approach targeting SARS-CoV-2 proteins using ultra-large virtual screening.

A multi-pronged approach targeting SARS-CoV-2 proteins using ultra-large virtual screening.

Journal: iScience

Published: August 03, 2020

A Multi-Pronged Approach Targeting SARS-CoV-2 Proteins Using Ultra-Large Virtual Screening.

A Multi-Pronged Approach Targeting SARS-CoV-2 Proteins Using Ultra-Large Virtual Screening.

Journal: ChemRxiv : the preprint server for chemistry

Published: July 24, 2020

Generalized Markov modeling of nonreversible molecular kinetics.

Generalized Markov modeling of nonreversible molecular kinetics.

Journal: The Journal of chemical physics

Published: May 10, 2019

Showing 1-12 of 21

Last Updated: 09/26/2026