Gerhard Stock

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 31

Top Topics

Single Molecule

Molecular Dynamics

Top Venues

Journal of chemical theory and computation

The Journal of chemical physics

The journal of physical chemistry. B

The journal of physical chemistry letters

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

Publications

Emanuel Dorbath, Adnan Gulzar, Gerhard Stock
Log-periodic oscillations as real-time signatures of hierarchical dynamics in proteins. The Journal of chemical physics 160 (7) (2024)
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, 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)
Daniel Nagel, Sofia Sartore, Gerhard Stock
Toward a Benchmark for Markov State Models: The Folding of HP35. The journal of physical chemistry letters (2023)
Daniel Nagel, Sofia Sartore, Gerhard Stock
Selecting Features for Markov Modeling: A Case Study on HP35. Journal of chemical theory and computation (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)
Georg Diez, Daniel Nagel, Gerhard Stock
Correlation-Based Feature Selection to Identify Functional Dynamics in Proteins. Journal of chemical theory and computation 18 (8) (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)
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)
Carlos R Baiz, Bartosz Błasiak, Jens Bredenbeck, Minhaeng Cho, Jun-Ho Choi, Steven A Corcelli, Arend G Dijkstra, Chi-Jui Feng, Sean Garrett-Roe, Nien-Hui Ge, Magnus W D Hanson-Heine, Jonathan D Hirst, Thomas la Cour Jansen, Kijeong Kwac, Kevin J Kubarych, Casey H Londergan, Hiroaki Maekawa, Mike Reppert, Shinji Saito, Santanu Roy, James L Skinner, Gerhard Stock, John E Straub, Megan C Thielges, Keisuke Tominaga, Andrei Tokmakoff, Hajime Torii, Lu Wang, Lauren J Webb, Martin T Zanni
Correction to Vibrational Spectroscopic Map, Vibrational Spectroscopy, and Intermolecular Interaction. Chemical reviews 121 (21) (2021)
Benjamin Lickert, Gerhard Stock
Modeling non-Markovian data using Markov state and Langevin models. The Journal of chemical physics 153 (24) (2021)
Daniel Nagel, Anna Weber, Gerhard Stock
MSMPathfinder: Identification of Pathways in Markov State Models. Journal of chemical theory and computation 16 (12) (2020)
Luis Valiño Borau, Adnan Gulzar, Gerhard Stock
Master equation model to predict energy transport pathways in proteins. The Journal of chemical physics 152 (4) (2020)
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)
Carlos R Baiz, Bartosz Błasiak, Jens Bredenbeck, Minhaeng Cho, Jun-Ho Choi, Steven A Corcelli, Arend G Dijkstra, Chi-Jui Feng, Sean Garrett-Roe, Nien-Hui Ge, Magnus W D Hanson-Heine, Jonathan D Hirst, Thomas la Cour Jansen, Kijeong Kwac, Kevin J Kubarych, Casey H Londergan, Hiroaki Maekawa, Mike Reppert, Shinji Saito, Santanu Roy, James L Skinner, Gerhard Stock, John E Straub, Megan C Thielges, Keisuke Tominaga, Andrei Tokmakoff, Hajime Torii, Lu Wang, Lauren J Webb, Martin T Zanni
Vibrational Spectroscopic Map, Vibrational Spectroscopy, and Intermolecular Interaction. Chemical reviews 120 (15) (2020)
Daniel Nagel, Anna Weber, Benjamin Lickert, Gerhard Stock
Dynamical coring of Markov state models. The Journal of chemical physics 150 (9) (2019)
Gerhard Stock, Peter Hamm
A non-equilibrium approach to allosteric communication. Philosophical transactions of the Royal Society of London. Series B, Biological sciences 373 (1749) (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)
Florian Sittel, Gerhard Stock
Perspective: Identification of collective variables and metastable states of protein dynamics. The Journal of chemical physics 149 (15) (2018)
Simon Brandt, Florian Sittel, Matthias Ernst, Gerhard Stock
Machine Learning of Biomolecular Reaction Coordinates. The journal of physical chemistry letters 9 (9) (2018)
Alberto Perez, Florian Sittel, Gerhard Stock, Ken A Dill
MELD-Path Efficiently Computes Conformational Transitions, Including Multiple and Diverse Paths. Journal of chemical theory and computation 14 (4) (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)
Mithun Biswas, Benjamin Lickert, Gerhard Stock
Metadynamics Enhanced Markov Modeling of Protein Dynamics. The journal of physical chemistry. B 122 (21) (2018)
Brigitte Stucki-Buchli, Philip J M Johnson, Olga Bozovic, Claudio Zanobini, Klemens L Koziol, Peter Hamm, Adnan Gulzar, Steffen Wolf, Sebastian Buchenberg, Gerhard Stock
2D-IR Spectroscopy of an AHA Labeled Photoswitchable PDZ2 Domain. The journal of physical chemistry. A 121 (49) (2017)
Matthias Ernst, Steffen Wolf, Gerhard Stock
Identification and Validation of Reaction Coordinates Describing Protein Functional Motion: Hierarchical Dynamics of T4 Lysozyme. Journal of chemical theory and computation 13 (10) (2017)