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Marcus Weber
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2020 – today
- 2024
- [c4]Marco Reidelbach
, Björn Schembera
Towards a FAIR Documentation of Workflows and Models in Applied Mathematics. ICMS 2024: 254-262 - [i6]Marco Reidelbach, Björn Schembera, Marcus Weber:
Towards a FAIR Documentation of Workflows and Models in Applied Mathematics. CoRR abs/2403.17778 (2024) - 2023
- [j19]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) - [c3]Marco Reidelbach
MaRDMO Plugin Document and Retrieve Workflows Using the MaRDI Portal. CoRDI 2023 - 2022
- [j18]Renata Sechi
SepFree NMF: A Toolbox for Analyzing the Kinetics of Sequential Spectroscopic Data. Algorithms 15(9): 297 (2022) - [i5]Marcus Weber, Konstantin Fackeldey:
The Mathematics of Comparing Objects. CoRR abs/2201.07032 (2022) - 2021
- [j17]Susanne Röhl, Marcus Weber, Konstantin Fackeldey
Computing the Minimal Rebinding Effect for NonReversible Processes. Multiscale Model. Simul. 19(1): 460-477 (2021) - [j16]Renata Sechi
Estimation of the Koopman Generator by Newton's Extrapolation. Multiscale Model. Simul. 19(2): 758-774 (2021) - 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
- 2019
- [j15]Franziska Erlekam, Sinaida Igde, Susanna Röblitz
Modeling of Multivalent Ligand-Receptor Binding Measured by kinITC. Comput. 7(3): 46 (2019) - 2018
- [j14]Marcus Weber:
Implications of PCCA+ in Molecular Simulation. Comput. 6(1): 20 (2018) - [j13]Jakob Witzig, Isabel Beckenbach, Leon Eifler, Konstantin Fackeldey, Ambros M. Gleixner
Mixed-Integer Programming for Cycle Detection in Nonreversible Markov Processes. Multiscale Model. Simul. 16(1): 248-265 (2018) - 2016
- [j12]Natasa Djurdjevac Conrad
Finding Dominant Structures of Nonreversible Markov Processes. Multiscale Model. Simul. 14(4): 1319-1340 (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
- [j11]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) - [j10]Marcus Weber, Konstantin Fackeldey:
Computing the Minimal Rebinding Effect Included in a Given Kinetics. Multiscale Model. Simul. 12(1): 318-334 (2014) - [j9]Wei Zhang
Applications of the Cross-Entropy Method to Importance Sampling and Optimal Control of Diffusions. SIAM J. Sci. Comput. 36(6) (2014) - 2013
- [j8]Susanna Röblitz
Fuzzy spectral clustering by PCCA+: application to Markov state models and data classification. Adv. Data Anal. Classif. 7(2): 147-179 (2013) - [j7]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): 2681-2688 (2013) - [j6]Han Cheng Lie
A Square Root Approximation of Transition Rates for a Markov State Model. SIAM J. Matrix Anal. Appl. 34(2): 738-756 (2013) - [p1]Marcus Weber:
Adaptive Spectral Clustering in Molecular Simulation. Classification and Data Mining 2013: 147-154 - 2011
- [j5]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): 253-262 (2011)
2000 – 2009
- 2009
- [j4]Alexander Bujotzek, Marcus Weber:
Efficient Simulation of ligand-receptor Binding Processes Using the Conformation Dynamics Approach. J. Bioinform. Comput. Biol. 7(5): 811-831 (2009) - [j3]Susanna Kube
Monte Carlo sampling of Wigner functions and surface hopping quantum dynamics. J. Comput. Phys. 228(6): 1947-1962 (2009) - 2008
- [j2]Aysam Gürler, Sebastian Moll, Marcus Weber, Holger Meyer, Frank Cordes:
Selection and flexible optimization of binding modes from conformation ensembles. Biosyst. 92(1): 42-48 (2008) - 2007
- [j1]Marcus Weber, Susanna Kube
Stable Computation of Probability Densities for Metastable Dynamical Systems. Multiscale Model. Simul. 6(2): 396-416 (2007) - 2005
- [c2]Marcus Weber, Susanna Kube
Robust Perron Cluster Analysis for Various Applications in Computational Life Science. CompLife 2005: 57-66 - [c1]Marcus Weber, Wasinee Rungsarityotin, Alexander Schliep
An Indicator for the Number of Clusters: Using a Linear Map to Simplex Structure. GfKl 2005: 103-110
Coauthor Index
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