Multi-Input data ASsembly for joint Analysis (MIASA): A framework for the joint analysis of disjoint sets of variables.
- Published in:
- PLoS ONE, 2024, v. 19, n. 5, p. 1, doi. 10.1371/journal.pone.0302425
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- Publication type:
- Article
Works by Fackeldey, Konstantin
Results: 12
1
2
Novel multi-objective affinity approach allows to identify pH-specific μ-opioid receptor agonists.
- Published in:
- Journal of Cheminformatics, 2023, v. 15, n. 1, p. 1, doi. 10.1186/s13321-023-00746-4
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- Publication type:
- Article
3
Computation of temperature-dependent dissociation rates of metastable protein–ligand complexes.
- Published in:
- Molecular Simulation, 2019, v. 45, n. 11, p. 904, doi. 10.1080/08927022.2019.1610949
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- Publication type:
- Article
4
VirtualFlow Ants—Ultra-Large Virtual Screenings with Artificial Intelligence Driven Docking Algorithm Based on Ant Colony Optimization.
- Published in:
- International Journal of Molecular Sciences, 2021, v. 22, n. 11, p. 5807, doi. 10.3390/ijms22115807
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- Publication type:
- Article
5
Augmented ant colony algorithm for virtual drug discovery.
- Published in:
- Journal of Mathematical Chemistry, 2024, v. 62, n. 2, p. 367, doi. 10.1007/s10910-023-01549-6
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- Publication type:
- Article
6
Analyzing Raman spectral data without separabiliy assumption.
- Published in:
- Journal of Mathematical Chemistry, 2021, v. 59, n. 3, p. 575, doi. 10.1007/s10910-020-01201-7
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- Publication type:
- Article
7
ZIBgridfree: efficient conformational analysis by partition-of-unity coupling.
- Published in:
- Journal of Mathematical Chemistry, 2014, v. 52, n. 3, p. 781, doi. 10.1007/s10910-013-0265-1
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- Publication type:
- Article
8
A coarse graining method for the dimension reduction of the state space of biomolecules.
- Published in:
- Journal of Mathematical Chemistry, 2012, v. 50, n. 9, p. 2623, doi. 10.1007/s10910-012-0051-5
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- Publication type:
- Article
9
Long range corrections for inhomogeneous fluids containing a droplet or a bubble.
- Published in:
- Molecular Simulation, 2022, v. 48, n. 1, p. 73, doi. 10.1080/08927022.2021.1954639
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- Publication type:
- Article
10
SepFree NMF: A Toolbox for Analyzing the Kinetics of Sequential Spectroscopic Data.
- Published in:
- Algorithms, 2022, v. 15, n. 9, p. 297, doi. 10.3390/a15090297
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- Publication type:
- Article
11
Coarse-Grained MD Simulations of Opioid Interactions with the μ -Opioid Receptor and the Surrounding Lipid Membrane.
- Published in:
- Biophysica, 2023, v. 3, n. 2, p. 263, doi. 10.3390/biophysica3020017
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- Publication type:
- Article
12
Conformational analysis of alternariol on the quantum level.
- Published in:
- Journal of Molecular Modeling, 2013, v. 19, n. 6, p. 2567, doi. 10.1007/s00894-013-1803-2
- By:
- Publication type:
- Article