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Konstantin Fackeldey

Showing results (1-10 of 17) with videos related to

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The Journal of Chemical Physics|April 8, 2017
Set-free Markov state model buildingMarcus Weber, Konstantin Fackeldey, Christof Schütte
The Journal of Chemical Physics|May 10, 2019
Generalized Markov modeling of nonreversible molecular kineticsBernhard Reuter, Konstantin Fackeldey, Marcus Weber
Supercomputing Frontiers and Innovations|October 25, 2021
Accounting of Receptor Flexibility in Ultra-Large Virtual Screens with VirtualFlow Using a Grey Wolf Optimization MethodChristoph Gorgulla, Konstantin Fackeldey, Gerhard Wagner, et al.
Current Opinion in Chemical Biology|May 16, 2022
Emerging frontiers in virtual drug discovery: From quantum mechanical methods to deep learning approachesChristoph Gorgulla, Abhilash Jayaraj, Konstantin Fackeldey, et al.
Journal of Chemical Theory and Computation|May 30, 2018
Generalized Markov State Modeling Method for Nonequilibrium Biomolecular Dynamics: Exemplified on Amyloid β Conformational Dynamics Driven by an Oscillating Electric FieldBernhard Reuter, Marcus Weber, Konstantin Fackeldey, et al.
Plos One|May 10, 2024
Multi-Input data ASsembly for joint Analysis (MIASA): A framework for the joint analysis of disjoint sets of variablesNomenjanahary Alexia Raharinirina, Vikram Sunkara, Max von Kleist, et al.
The Journal of Chemical Physics|December 11, 2013
Adaptive spectral clustering with application to tripeptide conformation analysisFiete Haack, Konstantin Fackeldey, Susanna Röblitz, et al.
Journal of Cheminformatics|September 19, 2023
Novel multi-objective affinity approach allows to identify pH-specific μ-opioid receptor agonistsChristopher Secker, Konstantin Fackeldey, Marcus Weber, et al.
Chaos (Woodbury, N.Y.)|February 3, 2019
From metastable to coherent sets- Time-discretization schemesKonstantin Fackeldey, Péter Koltai, Peter Névir, et al.
International Journal of Molecular Sciences|June 2, 2021
VirtualFlow Ants-Ultra-Large Virtual Screenings with Artificial Intelligence Driven Docking Algorithm Based on Ant Colony OptimizationChristoph Gorgulla, Süleyman Selim Çınaroğlu, Patrick D Fischer, et al.
Pageof 2

Showing results (1-10 of 17) with videos related to

Sort By:
Pageof 2
The Journal of Chemical Physics|April 8, 2017
Set-free Markov state model buildingMarcus Weber, Konstantin Fackeldey, Christof Schütte
The Journal of Chemical Physics|May 10, 2019
Generalized Markov modeling of nonreversible molecular kineticsBernhard Reuter, Konstantin Fackeldey, Marcus Weber
Supercomputing Frontiers and Innovations|October 25, 2021
Accounting of Receptor Flexibility in Ultra-Large Virtual Screens with VirtualFlow Using a Grey Wolf Optimization MethodChristoph Gorgulla, Konstantin Fackeldey, Gerhard Wagner, et al.
Current Opinion in Chemical Biology|May 16, 2022
Emerging frontiers in virtual drug discovery: From quantum mechanical methods to deep learning approachesChristoph Gorgulla, Abhilash Jayaraj, Konstantin Fackeldey, et al.
Journal of Chemical Theory and Computation|May 30, 2018
Generalized Markov State Modeling Method for Nonequilibrium Biomolecular Dynamics: Exemplified on Amyloid β Conformational Dynamics Driven by an Oscillating Electric FieldBernhard Reuter, Marcus Weber, Konstantin Fackeldey, et al.
Plos One|May 10, 2024
Multi-Input data ASsembly for joint Analysis (MIASA): A framework for the joint analysis of disjoint sets of variablesNomenjanahary Alexia Raharinirina, Vikram Sunkara, Max von Kleist, et al.
The Journal of Chemical Physics|December 11, 2013
Adaptive spectral clustering with application to tripeptide conformation analysisFiete Haack, Konstantin Fackeldey, Susanna Röblitz, et al.
Journal of Cheminformatics|September 19, 2023
Novel multi-objective affinity approach allows to identify pH-specific μ-opioid receptor agonistsChristopher Secker, Konstantin Fackeldey, Marcus Weber, et al.
Chaos (Woodbury, N.Y.)|February 3, 2019
From metastable to coherent sets- Time-discretization schemesKonstantin Fackeldey, Péter Koltai, Peter Névir, et al.
International Journal of Molecular Sciences|June 2, 2021
VirtualFlow Ants-Ultra-Large Virtual Screenings with Artificial Intelligence Driven Docking Algorithm Based on Ant Colony OptimizationChristoph Gorgulla, Süleyman Selim Çınaroğlu, Patrick D Fischer, et al.
Pageof 2