Publications by authors named "Steffen Wolf"

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H&E-based MSI/MMR testing with AI in colorectal cancer: a multi-centred blinded evaluation.
Cher Bass, Foivos Ntelemis, Julian Schmidt, Steffen Wolf, André Geraldes

NPJ Digit Med· December 2025

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A Deep-Learning Solution Identifies HER2 Negative Cases and Provides ER and PR Results From H&E-Stained Breast Cancer Specimens: A Blind Validation Study.
Elizabeth Walsh, Salim Arslan, André Geraldes, Rebecca Millican-Slater, Andrew M Hanby, Steffen Wolf

Clin Breast Cancer· October 2025

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More Sophisticated Is Not Always Better: A Comparison of Similarity Measures for Unsupervised Learning of Pathways in Biomolecular Simulations.
Miriam Jäger, Steffen Wolf

J Phys Chem B· October 2025

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How allosteric mutations control ligand binding in Lipocalin protein: odorant binding protein as a test case.
Maxence Lalis, Lucie Moitrier, Miriam Jäger, Cornelia Meinert, Marine Brulé, Steffen Wolf

Cell Mol Life Sci· June 2025

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Trust the force, but pull wisely: Structural insights into non-equilibrium response forces from pulling MD simulations.
Fabian Koch, Miriam Jäger, Victor Tänzel, Steffen Wolf, Tanja Schilling

J Chem Phys· April 2025

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Nonequilibrium friction and free energy estimates for kinetic coarse-graining-Driven particles in responsive media.
Sebastian Milster, Joachim Dzubiella, Gerhard Stock, Steffen Wolf

J Chem Phys· April 2025

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Learning Protein-Ligand Unbinding Pathways via Single-Parameter Community Detection.
Victor Tänzel, Miriam Jäger, Steffen Wolf

J Chem Theory Comput· June 2024

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Basal delamination during mouse gastrulation primes pluripotent cells for differentiation.
Nanami Sato, Viviane S Rosa, Aly Makhlouf, Helene Kretzmer, Abhishek Sampath Kumar, Steffen Wolf

Dev Cell· May 2024

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Nonadiabatic dynamics of molecules interacting with metal surfaces: A quantum-classical approach based on Langevin dynamics and the hierarchical equations of motion.
Samuel L Rudge, Christoph Kaspar, Robin L Grether, Steffen Wolf, Gerhard Stock

J Chem Phys· May 2024

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The Onset of Molecule-Spanning Dynamics in Heat Shock Protein Hsp90.
Benedikt Sohmen, Christian Beck, Veronika Frank, Tilo Seydel, Ingo Hoffmann, Steffen Wolf

Adv Sci (Weinh)· December 2023

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Investigation of Rare Protein Conformational Transitions via Dissipation-Corrected Targeted Molecular Dynamics.
Matthias Post, Steffen Wolf, Gerhard Stock

J Chem Theory Comput· December 2023

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Anisotropic Friction in a Ligand-Protein Complex.
Wanhao Cai, Miriam Jäger, Jakob T Bullerjahn, Thorsten Hugel, Steffen Wolf

Nano Lett· May 2023

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Predicting Protein-Ligand Binding and Unbinding Kinetics with Biased MD Simulations and Coarse-Graining of Dynamics: Current State and Challenges.
Steffen Wolf

J Chem Inf Model· May 2023

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Path separation of dissipation-corrected targeted molecular dynamics simulations of protein-ligand unbinding.
Steffen Wolf, Matthias Post, Gerhard Stock

J Chem Phys· March 2023

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Energy Transport and Its Function in Heptahelical Transmembrane Proteins.
Nadja Helmer, Steffen Wolf, Gerhard Stock

J Phys Chem B· November 2022

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Ligand Unbinding Pathway and Mechanism Analysis Assisted by Machine Learning and Graph Methods.
Simon Bray, Victor Tänzel, Steffen Wolf

J Chem Inf Model· October 2022

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Nonequilibrium Modeling of the Elementary Step in PDZ3 Allosteric Communication.
Ahmed A A I Ali, Adnan Gulzar, Steffen Wolf, Gerhard Stock

J Phys Chem Lett· October 2022

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Cooperative Protein Allosteric Transition Mediated by a Fluctuating Transmission Network.
Matthias Post, Benjamin Lickert, Georg Diez, Steffen Wolf, Gerhard Stock

J Mol Biol· September 2022

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Molecular Origin of Driving-Dependent Friction in Fluids.
Matthias Post, Steffen Wolf, Gerhard Stock

J Chem Theory Comput· May 2022

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Temporal control of the integrated stress response by a stochastic molecular switch.
Philipp Klein, Stefan M Kallenberger, Hanna Roth, Karsten Roth, Thi Bach Nga Ly-Hartig, Steffen Wolf

Sci Adv· March 2022

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Predicting Ion Channel Conductance via Dissipation-Corrected Targeted Molecular Dynamics and Langevin Equation Simulations.
Miriam Jäger, Thorsten Koslowski, Steffen Wolf

J Chem Theory Comput· January 2022

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finDr: A web server for D-peptide ligand identification.
Helena Engel, Felix Guischard, Fabian Krause, Janina Nandy, Paulina Kaas, Steffen Wolf

Synth Syst Biotechnol· December 2021

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Current approaches to fate mapping and lineage tracing using image data.
Steffen Wolf, Yinan Wan, Katie McDole

Development· September 2021

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Data-Driven Langevin Modeling of Nonequilibrium Processes.
Benjamin Lickert, Steffen Wolf, Gerhard Stock

J Phys Chem B· July 2021

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Hierarchical dynamics in allostery following ATP hydrolysis monitored by single molecule FRET measurements and MD simulations.
Steffen Wolf, Benedikt Sohmen, Björn Hellenkamp, Johann Thurn, Gerhard Stock

Chem Sci· January 2021

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