Steffen Wolf

ResearcherID ORCID

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 26

Top Venues

Journal of chemical theory and computation

Journal of chemical information and modeling

The journal of physical chemistry. B

Nature communications

Albert-Ludwigs-Universität Freiburg

This page only lists publications with an associated author ORCID identifier.

Affiliation History

Albert-Ludwigs-Universität Freiburg Mar 01 2016

Germany

Senior Scientist (Akademischer Rat) :: Institute of Physics

CAS-MPG Partner Institute for Computational Biology Jul 01 2010 - Feb 28 2016

China

Postdoc :: Biophysics

Ruhr University Bochum Feb 01 2013 - Feb 01 2016

Germany

Postdoc / Lecturer :: Biophysics

Shanghai Institute of Materia Medica Aug 01 2011 - Jan 31 2013

China

visiting scientist :: Protein crystallography

University of Wisconsin Madison Apr 01 2010 - Jun 30 2010

United States

Postdoc :: Theroetical Chemistry

Ruhr University Bochum Oct 01 2009 - Mar 31 2010

Germany

Postdoc :: Biophysics

Publications

Victor Tänzel, Miriam Jäger, Steffen Wolf
Learning Protein-Ligand Unbinding Pathways via Single-Parameter Community Detection. Journal of chemical theory and computation (2024)
Victor Tänzel, Miriam Jäger, Steffen Wolf
Learning Protein-Ligand Unbinding Pathways via Single-Parameter Community Detection. Journal of chemical theory and computation 20 (12) (2024)
Steffen Wolf
Predicting Protein-Ligand Binding and Unbinding Kinetics with Biased MD Simulations and Coarse-Graining of Dynamics: Current State and Challenges. Journal of chemical information and modeling 63 (10) (2023)
Benedikt Sohmen, Christian Beck, Veronika Frank, Tilo Seydel, Ingo Hoffmann, Bianca Hermann, Mark F Nüesch, Marco Grimaldo, Frank Schreiber, Steffen Wolf, Felix Roosen-Runge, Thorsten Hugel
The Onset of Molecule-Spanning Dynamics in Heat Shock Protein Hsp90. Advanced science (Weinheim, Baden-Wurttemberg, Germany) (2023)
Matthias Post, Steffen Wolf, Gerhard Stock
Investigation of Rare Protein Conformational Transitions via Dissipation-Corrected Targeted Molecular Dynamics. Journal of chemical theory and computation (2023)
Steffen Wolf
Predicting Protein-Ligand Binding and Unbinding Kinetics with Biased MD Simulations and Coarse-Graining of Dynamics: Current State and Challenges. Journal of chemical information and modeling (2023)
Wanhao Cai, Miriam Jäger, Jakob T Bullerjahn, Thorsten Hugel, Steffen Wolf, Bizan N Balzer
Anisotropic Friction in a Ligand-Protein Complex. Nano letters (2023)
Steffen Wolf
Predicting Protein-Ligand Binding and Unbinding Kinetics with Biased MD Simulations and Coarse-Graining of Dynamics: Current State and Challenges. Journal of chemical information and modeling 63 (10) (2023)
Steffen Wolf, Matthias Post, Gerhard Stock
Path separation of dissipation-corrected targeted molecular dynamics simulations of protein-ligand unbinding. The Journal of chemical physics 158 (12) (2023)
Ahmed A A I Ali, Adnan Gulzar, Steffen Wolf, Gerhard Stock
Nonequilibrium Modeling of the Elementary Step in PDZ3 Allosteric Communication. The journal of physical chemistry letters 13 (42) (2022)
Nadja Helmer, Steffen Wolf, Gerhard Stock
Energy Transport and Its Function in Heptahelical Transmembrane Proteins. The journal of physical chemistry. B 126 (43) (2022)
Simon Bray, Victor Tänzel, Steffen Wolf
Ligand Unbinding Pathway and Mechanism Analysis Assisted by Machine Learning and Graph Methods. Journal of chemical information and modeling 62 (19) (2022)
Matthias Post, Steffen Wolf, Gerhard Stock
Molecular Origin of Driving-Dependent Friction in Fluids. Journal of chemical theory and computation 18 (5) (2022)
Erhan Deniz, Luis Valiño-Borau, Jan Gerrit Löffler, Katharina B Eberl, Adnan Gulzar, Steffen Wolf, Patrick M Durkin, Robert Kaml, Nediljko Budisa, Gerhard Stock, Jens Bredenbeck
Through bonds or contacts? Mapping protein vibrational energy transfer using non-canonical amino acids. Nature communications 12 (1) (2021)
Benjamin Lickert, Steffen Wolf, Gerhard Stock
Data-Driven Langevin Modeling of Nonequilibrium Processes. The journal of physical chemistry. B 125 (29) (2021)
Miriam Jäger, Thorsten Koslowski, Steffen Wolf
Predicting Ion Channel Conductance via Dissipation-Corrected Targeted Molecular Dynamics and Langevin Equation Simulations. Journal of chemical theory and computation 18 (1) (2021)
Steffen Wolf, Benedikt Sohmen, Björn Hellenkamp, Johann Thurn, Gerhard Stock, Thorsten Hugel
Hierarchical dynamics in allostery following ATP hydrolysis monitored by single molecule FRET measurements and MD simulations. Chemical science 12 (9) (2021)
Olga Bozovic, Claudio Zanobini, Adnan Gulzar, Brankica Jankovic, David Buhrke, Matthias Post, Steffen Wolf, Gerhard Stock, Peter Hamm
Real-time observation of ligand-induced allosteric transitions in a PDZ domain. Proceedings of the National Academy of Sciences of the United States of America 117 (42) (2020)
Steffen Wolf, Benjamin Lickert, Simon A Bray, Gerhard Stock
Multisecond ligand dissociation dynamics from atomistic simulations. Nature communications 11 (1) (2020)
Steffen Wolf, Marta Amaral, Maryse Lowinski, Francois Vallée, Djordje Musil, Jörn Güldenhaupt, Matthias K Dreyer, Jörg Bomke, Matthias Frech, Jürgen Schlitter, Klaus Gerwert
Estimation of Protein-Ligand Unbinding Kinetics Using Non-Equilibrium Targeted Molecular Dynamics Simulations. Journal of chemical information and modeling 59 (12) (2019)
Brankica Jankovic, Adnan Gulzar, Claudio Zanobini, Olga Bozovic, Steffen Wolf, Gerhard Stock, Peter Hamm
Photocontrolling Protein-Peptide Interactions: From Minimal Perturbation to Complete Unbinding. Journal of the American Chemical Society 141 (27) (2019)
Adnan Gulzar, Luis Valiño Borau, Sebastian Buchenberg, Steffen Wolf, Gerhard Stock
Energy Transport Pathways in Proteins: A Non-equilibrium Molecular Dynamics Simulation Study. Journal of chemical theory and computation 15 (10) (2019)
Steffen Wolf, Gerhard Stock
Targeted Molecular Dynamics Calculations of Free Energy Profiles Using a Nonequilibrium Friction Correction. Journal of chemical theory and computation 14 (12) (2018)
Claudio Zanobini, Olga Bozovic, Brankica Jankovic, Klemens L Koziol, Philip J M Johnson, Peter Hamm, Adnan Gulzar, Steffen Wolf, Gerhard Stock
Azidohomoalanine: A Minimally Invasive, Versatile, and Sensitive Infrared Label in Proteins To Study Ligand Binding. The journal of physical chemistry. B 122 (44) (2018)
Steffen Wolf, Nikolina Jovancevic, Lian Gelis, Sebastian Pietsch, Hanns Hatt, Klaus Gerwert
Dynamical Binding Modes Determine Agonistic and Antagonistic Ligand Effects in the Prostate-Specific G-Protein Coupled Receptor (PSGR). Scientific reports 7 (1) (2017)
Steffen Wolf, Lian Gelis, Steffen Dörrich, Hanns Hatt, Philip Kraft
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 Bourgeonal family using the C/Si/Ge/Sn switch strategy. PloS one 12 (8) (2017)

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Publication Activity (10 Years)

Top Topics

Top Venues

Steffen Wolf