@article{AicheReinertSchuetteetal.2012, author = {Aiche, Stephan and Reinert, Knut and Sch{\"u}tte, Christof and Hildebrand, Diana and Schl{\"u}ter, Hartmut and Conrad, Tim}, title = {Inferring Proteolytic Processes from Mass Spectrometry Time Series Data Using Degradation Graphs}, volume = {7}, journal = {PLoS ONE}, number = {7}, publisher = {Public Library of Science}, doi = {10.1371/journal.pone.0040656}, pages = {e40656}, year = {2012}, language = {en} } @article{WeissPaulusSteinhilberetal.2012, author = {Weiss, Maximilian and Paulus, Florian and Steinhilber, D. and Nikitin, Anatoly and Haag, Rainer and Sch{\"u}tte, Christof}, title = {Estimating Kinetic Parameters for the Spontaneous Polymerization of Glycidol at Elevated Temperatures}, volume = {21}, journal = {MACROMOLECULAR THEORY and SIMULATIONS}, number = {7}, doi = {10.1002/mats.201200003}, pages = {470 -- 481}, year = {2012}, language = {en} } @article{DjurdjevacConradBrucknerConradetal.2012, author = {Djurdjevac Conrad, Natasa and Bruckner, Stefanie and Conrad, Tim and Sch{\"u}tte, Christof}, title = {Random Walks on Complex Modular Networks}, volume = {6}, journal = {Journal of Numerical Analysis, Industrial and Applied Mathematics}, number = {1-2}, publisher = {European Society of Computational Methods in Sciences and Engineering}, pages = {29 -- 50}, year = {2012}, language = {en} } @article{WangSchuetteSite2012, author = {Wang, Han and Sch{\"u}tte, Christof and Site, Luigi Delle}, title = {Adaptive Resolution Simulation (AdResS): A Smooth Thermodynamic and Structural Transition from Atomistic to Coarse Grained Resolution and Vice Versa in a Grand Canonical Fashion.}, volume = {8}, journal = {J. Chem. Theo. Comp.}, number = {8}, doi = {10.1021/ct3003354}, pages = {2878 -- 2887}, year = {2012}, language = {en} } @article{SenneTrendelkampSchroerMeyetal.2012, author = {Senne, M. and Trendelkamp-Schroer, B. and Mey, A. and Sch{\"u}tte, Christof and No{\´e}, Frank}, title = {EMMA - A software package for Markov model building and analysis}, volume = {8}, journal = {Journal of Chemical Theory and Computation}, doi = {10.1021/ct300274u}, pages = {2223 -- 2238}, year = {2012}, language = {en} } @article{DjurdjevacConradSarichSchuette2012, author = {Djurdjevac Conrad, Natasa and Sarich, Marco and Sch{\"u}tte, Christof}, title = {Estimating the eigenvalue error of Markov State Models}, volume = {10}, journal = {Multiscale Modeling \& Simulation}, number = {1}, doi = {10.1137/100798910}, pages = {61 -- 81}, year = {2012}, language = {en} } @article{RathYousefKatzensteinetal.2013, author = {Rath, Barbara and Yousef, Kaveh and Katzenstein, D. and Shafer, R. and Sch{\"u}tte, Christof and von Kleist, Max and Merigan, T.}, title = {HIV-1 Evolution in Response to Triple Reverse Transcriptase Inhibitor Induced Selective Pressure in vitro}, volume = {8}, journal = {PLoS ONE}, number = {4}, publisher = {Public Library of Science}, doi = {10.1371/journal.pone.0061102}, pages = {e61102}, year = {2013}, language = {en} } @article{MenzLatorreSchuetteetal.2012, author = {Menz, Stephan and Latorre, J. and Sch{\"u}tte, Christof and Huisinga, Wilhelm}, title = {Hybrid Stochastic--Deterministic Solution of the Chemical Master Equation}, volume = {10}, journal = {SIAM Interdisciplinary Journal Multiscale Modeling and Simulation (MMS)}, number = {4}, doi = {10.1137/110825716}, pages = {1232 -- 1262}, year = {2012}, language = {en} } @article{WinkelmannSchuettevonKleist2012, author = {Winkelmann, Stefanie and Sch{\"u}tte, Christof and von Kleist, Max}, title = {Markov Control Processes with Rare State Observation}, volume = {12}, journal = {Communications in Mathematical Sciences}, number = {859}, year = {2012}, language = {en} } @article{WinkelmannSchuettevonKleist2012, author = {Winkelmann, Stefanie and Sch{\"u}tte, Christof and von Kleist, Max}, title = {Markov Control with Rare State Observation}, journal = {International Journal of Biomathematics and Biostatistics}, year = {2012}, language = {en} } @article{SarichSchuetteVandenEijnden2010, author = {Sarich, Marco and Sch{\"u}tte, Christof and Vanden-Eijnden, E.}, title = {Optimal Fuzzy Aggregation of Networks}, volume = {8}, journal = {Multiscale Modeling and Simulation}, number = {4}, doi = {10.1137/090758519}, pages = {1535 -- 1561}, year = {2010}, language = {en} } @article{NoeSchuetteVandenEijndenetal.2009, author = {No{\´e}, Frank and Sch{\"u}tte, Christof and Vanden-Eijnden, E. and Reich, L. and Weikl, T.}, title = {Constructing the Full Ensemble of Folding Pathways from Short Off-Equilibrium Simulations}, volume = {106}, journal = {Proc. Natl. Acad. Sci. USA}, number = {45}, doi = {10.1073/pnas.0905466106}, pages = {19011 -- 19016}, year = {2009}, language = {en} } @article{SchuetteJahnke2009, author = {Sch{\"u}tte, Christof and Jahnke, Tobias}, title = {Towards Effective Dynamics in Complex Systems by Markov Kernel Approximation}, volume = {43}, journal = {Mathematical Modelling and Numerical Analysis (ESAIM)}, number = {4}, publisher = {EDP Sciences}, doi = {10.1051/m2an/2009027}, pages = {721 -- 742}, year = {2009}, language = {en} } @article{SchuetteNoeMeerbachetal.2009, author = {Sch{\"u}tte, Christof and No{\´e}, Frank and Meerbach, E. and Metzner, Ph. and Hartmann, Carsten}, title = {Conformation Dynamics}, journal = {Proceedings of the 6th International Congress on Industrial and Applied Mathematics, I. Jeltsch and G. Wanner (eds.),}, publisher = {EMS publishing house}, doi = {10.4171/056-1/15}, pages = {297 -- 335}, year = {2009}, language = {en} } @article{FiedlerLeichtleKaseetal.2009, author = {Fiedler, Georg Martin and Leichtle, Alexander Benedikt and Kase, Julia and Baumann, Sven and Ceglarek, Uta and Felix, Klaus and Conrad, Tim and Witzigmann, Helmut and Weimann, Arved and Sch{\"u}tte, Christof and Hauss, Johann and B{\"u}chler, Markus and Thiery, Joachim}, title = {Serum Peptidome Profiling Revealed Platelet Factor 4 as a Potential Discriminating Peptide Associated With Pancreatic Cancer}, volume = {15}, journal = {Clinical Cancer Research}, number = {11}, publisher = {American Association for Cancer Research,}, doi = {10.1158/1078-0432.CCR-08-2701}, pages = {3812 -- 3819}, year = {2009}, language = {en} } @article{HartmannSchuetteKalibaevaetal.2009, author = {Hartmann, Carsten and Sch{\"u}tte, Christof and Kalibaeva, G. and Pierro, M. and Ciccotti, Giovanni}, title = {Fast Simulation of Polymer Chains}, volume = {130}, journal = {J. Chem. Phys.}, doi = {10.1063/1.3110603}, pages = {144101}, year = {2009}, language = {en} } @article{MetznerSchuetteVandenEijnden2009, author = {Metzner, Ph. and Sch{\"u}tte, Christof and Vanden-Eijnden, E.}, title = {Transition Path Theory for Markov Jump Processes}, volume = {7}, journal = {Mult. Mod. Sim.}, number = {3}, doi = {10.1137/070699500}, pages = {1192 -- 1219}, year = {2009}, language = {en} } @article{GraefeNordmeierSchuette2009, author = {Gr{\"a}fe, Ch. and Nordmeier, V. and Sch{\"u}tte, Christof}, title = {Computerspiel zum Thema Molek{\"u}ldynamik f{\"u}r Sch{\"u}ler der 7.-10. Klasse, Experimentelles Protyping zur Entwicklung eines Lernspiels}, volume = {1}, journal = {Jahrestagung 2008 der GDCP (Gesellschaft f{\"u}r Didaktik der Chemie und Physik)}, publisher = {LIT VERLAG Dr. W. Hopf}, pages = {77 -- 79}, year = {2009}, language = {en} } @article{MetznerNoeSchuette2009, author = {Metzner, Ph. and No{\´e}, Frank and Sch{\"u}tte, Christof}, title = {Estimating the Sampling Error}, volume = {80}, journal = {Phys. Rev. E}, number = {2}, publisher = {American Physical Society}, doi = {10.1103/PhysRevE.80.021106}, pages = {021106}, year = {2009}, language = {en} } @incollection{GraefeSchuetteNordmeier2009, author = {Gr{\"a}fe, Ch. and Sch{\"u}tte, Christof and Nordmeier, V.}, title = {"Learner as creator" - Sch{\"u}lerInnen generieren eigene Lernspiele}, booktitle = {Didaktik der Physik - Bochum 2009}, publisher = {Lehmanns Media}, address = {Berlin}, year = {2009}, language = {en} } @article{LatorreMetznerHartmannetal.2011, author = {Latorre, J. and Metzner, Ph. and Hartmann, Carsten and Sch{\"u}tte, Christof}, title = {A Structure-preserving numerical discretization of reversible diffusions}, volume = {9}, journal = {Commun. Math. Sci.}, number = {4}, pages = {1051 -- 1072}, year = {2011}, language = {en} }