Reliable Approximation of Long Relaxation Timescales in Molecular Dynamics od Wei Zhang, Christof Schütte

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Molecular Dynamics vs. Stochastic Processes: Are We Heading Anywhere? od Giovanni Ciccotti, Mauro Ferrario, Christof Schütte

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Correction: Pharmacokinetics and Pharmacodynamics of the Reverse Transcriptase Inhibitor Tenofovir and Prophylactic Efficacy against HIV-1 Infection. od Sulav Duwal, Christof Schütte, Max von Kleist

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Data-driven model reduction of agent-based systems using the Koopman generator. od Jan-Hendrik Niemann, Stefan Klus, Christof Schütte

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Pharmacokinetics and pharmacodynamics of the reverse transcriptase inhibitor tenofovir and prophylactic efficacy against HIV-1 infection. od Sulav Duwal, Christof Schütte, Max von Kleist

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Variational Characterization of Free Energy: Theory and Algorithms od Carsten Hartmann, Lorenz Richter, Christof Schütte, Wei Zhang

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Markov State Models for Rare Events in Molecular Dynamics od Marco Sarich, Ralf Banisch, Carsten Hartmann, Christof Schütte

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Optimal Data-Driven Estimation of Generalized Markov State Models for Non-Equilibrium Dynamics od Péter Koltai, Hao Wu, Frank Noé, Christof Schütte

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Understanding the romanization spreading on historical interregional networks in Northern Tunisia od Margarita Kostré, Vikram Sunkara, Christof Schütte, Nataša Djurdjevac Conrad

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HIV-1 polymerase inhibition by nucleoside analogs: cellular- and kinetic parameters of efficacy, susceptibility and resistance selection. od Max von Kleist, Philipp Metzner, Roland Marquet, Christof Schütte

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Grand-Canonical-like Molecular-Dynamics Simulations by Using an Adaptive-Resolution Technique od Han Wang, Carsten Hartmann, Christof Schütte, Luigi Delle Site

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Modelling opinion dynamics under the impact of influencer and media strategies od Luzie Helfmann, Nataša Djurdjevac Conrad, Philipp Lorenz-Spreen, Christof Schütte

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Characterization of Rare Events in Molecular Dynamics od Carsten Hartmann, Ralf Banisch, Marco Sarich, Tomasz Badowski, Christof Schütte

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EMT network-based feature selection improves prognosis prediction in lung adenocarcinoma. od Borong Shao, Maria Moksnes Bjaanæs, Åslaug Helland, Christof Schütte, Tim Conrad

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Novel multi-objective affinity approach allows to identify pH-specific μ-opioid receptor agonists od Christopher Secker, Konstantin Fackeldey, Marcus Weber, Sourav Ray, Christoph Gorgulla, Christof Schütte

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HIV quasispecies dynamics during pro-active treatment switching: impact on multi-drug resistance and resistance archiving in latent reservoirs. od Max von Kleist, Stephan Menz, Hartmut Stocker, Keikawus Arasteh, Christof Schütte, Wilhelm Huisinga

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Inferring proteolytic processes from mass spectrometry time series data using degradation graphs. od Stephan Aiche, Knut Reinert, Christof Schütte, Diana Hildebrand, Hartmut Schlüter, Tim O F Conrad

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Prediction of Covid-19 spreading and optimal coordination of counter-measures: From microscopic to macroscopic models to Pareto fronts. od Hanna Wulkow, Tim O F Conrad, Nataša Djurdjevac Conrad, Sebastian A Müller, Kai Nagel, Christof Schütte

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The furnace and the goat-A spatio-temporal model of the fuelwood requirement for iron metallurgy on Elba Island, 4th century BCE to 2nd century ce. od Fabian Becker, Nataša Djurdjevac Conrad, Raphael A Eser, Luzie Helfmann, Brigitta Schütt, Christof Schütte, Johannes Zonker

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In vitro HIV-1 evolution in response to triple reverse transcriptase inhibitors & in silico phenotypic analysis. od Barbara A Rath, Kaveh Pouran Yousef, David K Katzenstein, Robert W Shafer, Christof Schütte, Max von Kleist, Thomas C Merigan

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