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Konstantin Fackeldey
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2020 – today
- 2023
- [j11]Christopher Secker, Konstantin Fackeldey, Marcus Weber, Sourav Ray, Christoph Gorgulla, Christof Schütte:
Novel multi-objective affinity approach allows to identify pH-specific μ-opioid receptor agonists. J. Cheminformatics 15(1): 85 (2023) - 2022
- [j10]Renata Sechi
, Konstantin Fackeldey
, Surahit Chewle
, Marcus Weber:
SepFree NMF: A Toolbox for Analyzing the Kinetics of Sequential Spectroscopic Data. Algorithms 15(9): 297 (2022) - [j9]Konstantin Fackeldey
, Mathias Oster, Leon Sallandt
, Reinhold Schneider
:
Approximative Policy Iteration for Exit Time Feedback Control Problems Driven by Stochastic Differential Equations using Tensor Train Format. Multiscale Model. Simul. 20(1): 379-403 (2022) - [i5]Marcus Weber, Konstantin Fackeldey:
The Mathematics of Comparing Objects. CoRR abs/2201.07032 (2022) - 2021
- [j8]Susanne Röhl, Marcus Weber, Konstantin Fackeldey
:
Computing the Minimal Rebinding Effect for NonReversible Processes. Multiscale Model. Simul. 19(1): 460-477 (2021) - 2020
- [j7]Christoph Gorgulla
, Andras Boeszoermenyi
, Zifu Wang, Patrick D. Fischer
, Paul W. Coote, Krishna M. Padmanabha Das
, Yehor S. Malets
, Dmytro S. Radchenko
, Yurii S. Moroz
, David A. Scott
, Konstantin Fackeldey
, Moritz Hoffmann
, Iryna Iavniuk
, Gerhard Wagner, Haribabu Arthanari
:
An open-source drug discovery platform enables ultra-large virtual screens. Nat. 580(7805): 663-668 (2020) - [j6]Christoph Gorgulla, Konstantin Fackeldey, Gerhard Wagner, Haribabu Arthanari
:
Accounting of Receptor Flexibility in Ultra-Large Virtual Screens with VirtualFlow Using a Grey Wolf Optimization Method. Supercomput. Front. Innov. 7(3) (2020) - [i4]Konstantin Fackeldey, Jonas Röhm, Amir Niknejad, Surahit Chewle, Marcus Weber:
Analyzing Raman Spectral Data without Separability Assumption. CoRR abs/2007.06428 (2020) - [i3]Susanne Röhl, Marcus Weber, Konstantin Fackeldey:
Computing the minimal rebinding effect for non-reversible processes. CoRR abs/2007.08403 (2020) - [i2]Marcus Weber, Konstantin Fackeldey:
The Complexity of Comparative Text Analysis - "The Gardener is always the Murderer" says the Fourth Machine. CoRR abs/2012.07637 (2020)
2010 – 2019
- 2018
- [j5]Jakob Witzig, Isabel Beckenbach, Leon Eifler, Konstantin Fackeldey, Ambros M. Gleixner
, Andreas Grever, Marcus Weber:
Mixed-Integer Programming for Cycle Detection in Nonreversible Markov Processes. Multiscale Model. Simul. 16(1): 248-265 (2018) - 2016
- [i1]Isabel Beckenbach, Leon Eifler, Konstantin Fackeldey, Ambros M. Gleixner, Andreas Grever, Marcus Weber, Jakob Witzig:
Mixed-Integer Programming for Cycle Detection in Non-reversible Markov Processes. CoRR abs/1609.02063 (2016) - 2014
- [j4]Karsten Andrae, Stefan Merkel, Vedat Durmaz, Konstantin Fackeldey, Robert Köppen, Marcus Weber, Matthias Koch:
Investigation of the Ergopeptide Epimerization Process. Comput. 2(3): 102-111 (2014) - [j3]Marcus Weber, Konstantin Fackeldey:
Computing the Minimal Rebinding Effect Included in a Given Kinetics. Multiscale Model. Simul. 12(1): 318-334 (2014) - 2013
- [j2]Han Cheng Lie
, Konstantin Fackeldey, Marcus Weber:
A Square Root Approximation of Transition Rates for a Markov State Model. SIAM J. Matrix Anal. Appl. 34(2): 738-756 (2013) - 2011
- [j1]Konstantin Fackeldey, Dorian Krause, Rolf Krause
, Christoph Lenzen:
Coupling Molecular Dynamics and Continua with Weak Constraints. Multiscale Model. Simul. 9(4): 1459-1494 (2011)
Coauthor Index
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