Marcus Weber

According to our database, Marcus Weber authored at least 29 papers between 2005 and 2024.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of four.

2024

Towards a FAIR Documentation of Workflows and Models in Applied Mathematics.

Marco Reidelbach, Björn Schembera, Marcus Weber

Proceedings of the Mathematical Software - ICMS 2024, 2024

2023

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

Christopher Secker, Konstantin Fackeldey, Marcus Weber, Sourav Ray, Christoph Gorgulla, Christof Schütte

J. Cheminformatics, December, 2023

MaRDMO Plugin Document and Retrieve Workflows Using the MaRDI Portal.

Marco Reidelbach, Eloi Ferrer, Marcus Weber

Proceedings of the 1st Conference on Research Data Infrastructure - Connecting Communities, 2023

2022

The Mathematics of Comparing Objects.

Marcus Weber, Konstantin Fackeldey

CoRR, 2022

SepFree NMF: A Toolbox for Analyzing the Kinetics of Sequential Spectroscopic Data.

Renata Sechi, Konstantin Fackeldey, Surahit Chewle, Marcus Weber

Algorithms, 2022

2021

Estimation of the Koopman Generator by Newton's Extrapolation.

Renata Sechi, Alexander Sikorski, Marcus Weber

Multiscale Model. Simul., 2021

Computing the Minimal Rebinding Effect for NonReversible Processes.

Susanne Röhl, Marcus Weber, Konstantin Fackeldey

Multiscale Model. Simul., 2021

2020

The Complexity of Comparative Text Analysis - "The Gardener is always the Murderer" says the Fourth Machine.

Marcus Weber, Konstantin Fackeldey

CoRR, 2020

Computing the minimal rebinding effect for non-reversible processes.

Susanne Röhl, Marcus Weber, Konstantin Fackeldey

CoRR, 2020

Analyzing Raman Spectral Data without Separability Assumption.

Konstantin Fackeldey, Jonas Röhm, Amir Niknejad, Surahit Chewle, Marcus Weber

CoRR, 2020

2019

Modeling of Multivalent Ligand-Receptor Binding Measured by kinITC.

Franziska Erlekam, Sinaida Igde, Susanna Röblitz, Laura Hartmann, Marcus Weber

Comput., 2019

2018

Mixed-Integer Programming for Cycle Detection in Nonreversible Markov Processes.

Jakob Witzig, Isabel Beckenbach, Leon Eifler, Konstantin Fackeldey, Ambros M. Gleixner, Andreas Grever, Marcus Weber

Multiscale Model. Simul., 2018

Implications of PCCA+ in Molecular Simulation.

Marcus Weber

Comput., 2018

2016

Finding Dominant Structures of Nonreversible Markov Processes.

Natasa Djurdjevac Conrad, Marcus Weber, Christof Schütte

Multiscale Model. Simul., 2016

Mixed-Integer Programming for Cycle Detection in Non-reversible Markov Processes.

Isabel Beckenbach, Leon Eifler, Konstantin Fackeldey, Ambros M. Gleixner, Andreas Grever, Marcus Weber, Jakob Witzig

CoRR, 2016

2014

Applications of the Cross-Entropy Method to Importance Sampling and Optimal Control of Diffusions.

Wei Zhang, Han Wang, Carsten Hartmann, Marcus Weber, Christof Schütte

SIAM J. Sci. Comput., 2014

Computing the Minimal Rebinding Effect Included in a Given Kinetics.

Marcus Weber, Konstantin Fackeldey

Multiscale Model. Simul., 2014

Investigation of the Ergopeptide Epimerization Process.

Karsten Andrae, Stefan Merkel, Vedat Durmaz, Konstantin Fackeldey, Robert Köppen, Marcus Weber, Matthias Koch

Comput., 2014

2013

Adaptive Spectral Clustering in Molecular Simulation.

Marcus Weber

Proceedings of the Classification and Data Mining, 2013

A Square Root Approximation of Transition Rates for a Markov State Model.

Han Cheng Lie, Konstantin Fackeldey, Marcus Weber

SIAM J. Matrix Anal. Appl., 2013

Hands-off Linear Interaction Energy Approach to Binding Mode and Affinity Estimation of Estrogens.

Vedat Durmaz, Sebastian Schmidt, Peggy Sabri, Christian Piechotta, Marcus Weber

J. Chem. Inf. Model., 2013

Fuzzy spectral clustering by PCCA+: application to Markov state models and data classification.

Susanna Röblitz, Marcus Weber

Adv. Data Anal. Classif., 2013

2011

Towards a rational spacer design for bivalent inhibition of estrogen receptor.

Alexander Bujotzek, Min Shan, Rainer Haag, Marcus Weber

J. Comput. Aided Mol. Des., 2011

2009

Monte Carlo sampling of Wigner functions and surface hopping quantum dynamics.

Susanna Kube, Caroline Lasser, Marcus Weber

J. Comput. Phys., 2009

Efficient Simulation of ligand-receptor Binding Processes Using the Conformation Dynamics Approach.

Alexander Bujotzek, Marcus Weber

J. Bioinform. Comput. Biol., 2009

2008

Selection and flexible optimization of binding modes from conformation ensembles.

Aysam Gürler, Sebastian Moll, Marcus Weber, Holger Meyer, Frank Cordes

Biosyst., 2008

2007

Stable Computation of Probability Densities for Metastable Dynamical Systems.

Marcus Weber, Susanna Kube, Lionel Walter, Peter Deuflhard

Multiscale Model. Simul., 2007

2005

An Indicator for the Number of Clusters: Using a Linear Map to Simplex Structure.

Marcus Weber, Wasinee Rungsarityotin, Alexander Schliep

Proceedings of the From Data and Information Analysis to Knowledge Engineering, 2005

Robust Perron Cluster Analysis for Various Applications in Computational Life Science.

Marcus Weber, Susanna Kube

Proceedings of the Computational Life Sciences, First International Symposium, 2005