Targeted Molecular Dynamics Calculations of Free Energy Profiles Using a Nonequilibrium Friction Correction von Wolf, Steffen, Stock, Gerhard

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Multisecond ligand dissociation dynamics from atomistic simulations von Wolf, Steffen, Lickert, Benjamin, Bray, Simon, Stock, Gerhard

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Principal component analysis of nonequilibrium molecular dynamics simulations von Post, Matthias, Wolf, Steffen, Stock, Gerhard

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Sequence, structure and ligand binding evolution of rhodopsin-like G protein-coupled receptors: a crystal structure-based phylogenetic analysis von Wolf, Steffen, Grünewald, Stefan

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Proton transfer via a transient linear water-molecule chain in a membrane protein von Freier, Erik, Wolf, Steffen, Gerwert, Klaus

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The role of protein-bound water molecules in microbial rhodopsins von Gerwert, Klaus, Freier, Erik, Wolf, Steffen

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

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Deformation Mechanisms in Austenitic TRIP/TWIP Steel as a Function of Temperature von Martin, Stefan, Wolf, Steffen, Martin, Ulrich, Krüger, Lutz, Rafaja, David

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

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Identification and Validation of Reaction Coordinates Describing Protein Functional Motion: Hierarchical Dynamics of T4 Lysozyme von Ernst, Matthias, Wolf, Steffen, Stock, Gerhard

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Photocontrolling Protein–Peptide Interactions: From Minimal Perturbation to Complete Unbinding von Jankovic, Brankica, Gulzar, Adnan, Zanobini, Claudio, Bozovic, Olga, Wolf, Steffen, Stock, Gerhard, Hamm, Peter

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

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In-situ X-ray diffraction studies of lithium–sulfur batteries von Cañas, Natalia A., Wolf, Steffen, Wagner, Norbert, Friedrich, K. Andreas

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A Numerical Procedure to Evaluate Memory Effects in Non‐Equilibrium Coarse‐Grained Models von Meyer, Hugues, Wolf, Steffen, Stock, Gerhard, Schilling, Tanja

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Evidence for a shape-based recognition of odorants in vivo in the human nose from an analysis of the molecular mechanism of lily-of-the-valley odorants detection in the Lilial and... von Wolf, Steffen, Gelis, Lian, Dörrich, Steffen, Hatt, Hanns, Kraft, Philip

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Through bonds or contacts? Mapping protein vibrational energy transfer using non-canonical amino acids von Deniz, Erhan, Valiño-Borau, Luis, Löffler, Jan G., Eberl, Katharina B., Gulzar, Adnan, Wolf, Steffen, Durkin, Patrick M., Kaml, Robert, Budisa, Nediljko, Stock, Gerhard, Bredenbeck, Jens

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Estimation of Protein–Ligand Unbinding Kinetics Using Non-Equilibrium Targeted Molecular Dynamics Simulations von Wolf, Steffen, Amaral, Marta, Lowinski, Maryse, Vallée, Francois, Musil, Djordje, Güldenhaupt, Jörn, Dreyer, Matthias K, Bomke, Jörg, Frech, Matthias, Schlitter, Jürgen, Gerwert, Klaus

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A Delocalized Proton-Binding Site within a Membrane Protein von Wolf, Steffen, Freier, Erik, Gerwert, Klaus

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Deformation Bands in High-Alloy Austenitic 16Cr6Mn6Ni TRIP Steel: Phase Transformation and Its Consequences on Strain Hardening at Room Temperature von Martin, Stefan, Wolf, Steffen, Decker, Sabine, Krüger, Lutz, Martin, Ulrich

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Infrared spectral marker bands characterizing a transient water wire inside a hydrophobic membrane protein von Wolf, Steffen, Freier, Erik, Cui, Qiang, Gerwert, Klaus

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