Marcus Weber

Publication Activity (10 Years)

Years Active: 2005-2024
Publications (10 Years): 16

Top Topics

Lagrangian Relaxation

Continuous Time Markov Chains

Effective Retrieval

Top Venues

Multiscale Model. Simul.

J. Cheminformatics

Publications

Marco Reidelbach, Björn Schembera, Marcus Weber
Towards a FAIR Documentation of Workflows and Models in Applied Mathematics. CoRR (2024)
Marco Reidelbach, Björn Schembera, Marcus Weber
Towards a FAIR Documentation of Workflows and Models in Applied Mathematics. ICMS (2024)
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) (2023)
Marco Reidelbach, Eloi Ferrer, Marcus Weber
MaRDMO Plugin Document and Retrieve Workflows Using the MaRDI Portal. CoRDI (2023)
Marcus Weber, Konstantin Fackeldey
The Mathematics of Comparing Objects. CoRR (2022)
Renata Sechi, Konstantin Fackeldey, Surahit Chewle, Marcus Weber
SepFree NMF: A Toolbox for Analyzing the Kinetics of Sequential Spectroscopic Data. Algorithms 15 (9) (2022)
Renata Sechi, Alexander Sikorski, Marcus Weber
Estimation of the Koopman Generator by Newton's Extrapolation. Multiscale Model. Simul. 19 (2) (2021)
Susanne Röhl, Marcus Weber, Konstantin Fackeldey
Computing the Minimal Rebinding Effect for NonReversible Processes. Multiscale Model. Simul. 19 (1) (2021)
Konstantin Fackeldey, Jonas Röhm, Amir Niknejad, Surahit Chewle, Marcus Weber
Analyzing Raman Spectral Data without Separability Assumption. CoRR (2020)
Susanne Röhl, Marcus Weber, Konstantin Fackeldey
Computing the minimal rebinding effect for non-reversible processes. CoRR (2020)
Marcus Weber, Konstantin Fackeldey
The Complexity of Comparative Text Analysis - "The Gardener is always the Murderer" says the Fourth Machine. CoRR (2020)
Franziska Erlekam, Sinaida Igde, Susanna Röblitz, Laura Hartmann, Marcus Weber
Modeling of Multivalent Ligand-Receptor Binding Measured by kinITC. Comput. 7 (3) (2019)
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) (2018)
Marcus Weber
Implications of PCCA+ in Molecular Simulation. Comput. 6 (1) (2018)
Natasa Djurdjevac Conrad, Marcus Weber, Christof Schütte
Finding Dominant Structures of Nonreversible Markov Processes. Multiscale Model. Simul. 14 (4) (2016)
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 (2016)
Marcus Weber, Konstantin Fackeldey
Computing the Minimal Rebinding Effect Included in a Given Kinetics. Multiscale Model. Simul. 12 (1) (2014)
Karsten Andrae, Stefan Merkel, Vedat Durmaz, Konstantin Fackeldey, Robert Köppen, Marcus Weber, Matthias Koch
Investigation of the Ergopeptide Epimerization Process. Comput. 2 (3) (2014)
Wei Zhang, Han Wang, Carsten Hartmann, Marcus Weber, Christof Schütte
Applications of the Cross-Entropy Method to Importance Sampling and Optimal Control of Diffusions. SIAM J. Sci. Comput. 36 (6) (2014)
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) (2013)
Vedat Durmaz, Sebastian Schmidt, Peggy Sabri, Christian Piechotta, Marcus Weber
Hands-off Linear Interaction Energy Approach to Binding Mode and Affinity Estimation of Estrogens. J. Chem. Inf. Model. 53 (10) (2013)
Susanna Röblitz, Marcus Weber
Fuzzy spectral clustering by PCCA+: application to Markov state models and data classification. Adv. Data Anal. Classif. 7 (2) (2013)
Alexander Bujotzek, Min Shan, Rainer Haag, Marcus Weber
Towards a rational spacer design for bivalent inhibition of estrogen receptor. J. Comput. Aided Mol. Des. 25 (3) (2011)
Susanna Kube, Caroline Lasser, Marcus Weber
Monte Carlo sampling of Wigner functions and surface hopping quantum dynamics. J. Comput. Phys. 228 (6) (2009)
Alexander Bujotzek, Marcus Weber
Efficient Simulation of ligand-receptor Binding Processes Using the Conformation Dynamics Approach. J. Bioinform. Comput. Biol. 7 (5) (2009)
Aysam Gürler, Sebastian Moll, Marcus Weber, Holger Meyer, Frank Cordes
Selection and flexible optimization of binding modes from conformation ensembles. Biosyst. 92 (1) (2008)
Marcus Weber, Susanna Kube, Lionel Walter, Peter Deuflhard
Stable Computation of Probability Densities for Metastable Dynamical Systems. Multiscale Model. Simul. 6 (2) (2007)
Marcus Weber, Susanna Kube
Robust Perron Cluster Analysis for Various Applications in Computational Life Science. CompLife (2005)
Marcus Weber, Wasinee Rungsarityotin, Alexander Schliep
An Indicator for the Number of Clusters: Using a Linear Map to Simplex Structure. GfKl (2005)