Marcus Weber - researchr alias

researchr

You are not signed in
Sign in
Sign up

Viewing Publication 1 - 22 from 22

2023

MaRDMO Plugin Document and Retrieve Workflows Using the MaRDI PortalMarco Reidelbach, Eloi Ferrer, Marcus Weber. cordi 2023: [doi]

Novel multi-objective affinity approach allows to identify pH-specific μ-opioid receptor agonistsChristopher Secker, Konstantin Fackeldey, Marcus Weber, Sourav Ray, Christoph Gorgulla, Christof Schütte. jcheminf, 15(1):85, December 2023. [doi]

2022

SepFree NMF: A Toolbox for Analyzing the Kinetics of Sequential Spectroscopic DataRenata Sechi, Konstantin Fackeldey, Surahit Chewle, Marcus Weber. algorithms, 15(9):297, 2022. [doi]

2021

Computing the Minimal Rebinding Effect for NonReversible ProcessesSusanne Röhl, Marcus Weber, Konstantin Fackeldey. mmas, 19(1):460-477, 2021. [doi]

Estimation of the Koopman Generator by Newton's ExtrapolationRenata Sechi, Alexander Sikorski, Marcus Weber. mmas, 19(2):758-774, 2021. [doi]

2019

Modeling of Multivalent Ligand-Receptor Binding Measured by kinITCFranziska Erlekam, Sinaida Igde, Susanna Röblitz, Laura Hartmann, Marcus Weber. computation, 7(3):46, 2019. [doi]

2018

Implications of PCCA+ in Molecular SimulationMarcus Weber. computation, 6(1):20, 2018. [doi]

Mixed-Integer Programming for Cycle Detection in Nonreversible Markov ProcessesJakob Witzig, Isabel Beckenbach, Leon Eifler, Konstantin Fackeldey, Ambros M. Gleixner, Andreas Grever, Marcus Weber. mmas, 16(1):248-265, 2018. [doi]

2016

Finding Dominant Structures of Nonreversible Markov ProcessesNatasa Djurdjevac Conrad, Marcus Weber, Christof Schütte. mmas, 14(4):1319-1340, 2016. [doi]

2014

2013

Hands-off Linear Interaction Energy Approach to Binding Mode and Affinity Estimation of EstrogensVedat Durmaz, Sebastian Schmidt, Peggy Sabri, Christian Piechotta, Marcus Weber. jcisd, 53(10):2681-2688, 2013. [doi]

A Square Root Approximation of Transition Rates for a Markov State ModelHan Cheng Lie, Konstantin Fackeldey, Marcus Weber. siammax, 34(2):738-756, 2013. [doi]

Fuzzy spectral clustering by PCCA+: application to Markov state models and data classificationSusanna Röblitz, Marcus Weber. adac, 7(2):147-179, 2013. [doi]

Adaptive Spectral Clustering in Molecular SimulationMarcus Weber. In Antonio Giusti, Gunter Ritter, Maurizio Vichi, editors, Classification and Data Mining. Studies in Classification, Data Analysis, and Knowledge Organization, pages 147-154, Springer, 2013. [doi]

2011

Towards a rational spacer design for bivalent inhibition of estrogen receptorAlexander Bujotzek, Min Shan, Rainer Haag, Marcus Weber. jcamd, 25(3):253-262, 2011. [doi]

2009

Efficient Simulation of ligand-receptor Binding Processes Using the Conformation Dynamics ApproachAlexander Bujotzek, Marcus Weber. jbcb, 7(5):811-831, 2009. [doi]

Monte Carlo sampling of Wigner functions and surface hopping quantum dynamicsSusanna Kube, Caroline Lasser, Marcus Weber. jcphy, 228(6):1947-1962, 2009. [doi]

2007

Stable Computation of Probability Densities for Metastable Dynamical SystemsMarcus Weber, Susanna Kube, Lionel Walter, Peter Deuflhard. mmas, 6(2):396-416, 2007. [doi]

2005

Robust Perron Cluster Analysis for Various Applications in Computational Life ScienceMarcus Weber, Susanna Kube. complife 2005: 57-66 [doi]

An Indicator for the Number of Clusters: Using a Linear Map to Simplex StructureMarcus Weber, Wasinee Rungsarityotin, Alexander Schliep. gfkl 2006: 103-110 [doi]

Sign in or sign up to see more results.

runs on WebDSL