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The Journal of Chemical Physics|April 17, 2025
Nonequilibrium friction and free energy estimates for kinetic coarse-graining-Driven particles in responsive mediaSebastian Milster, Joachim Dzubiella, Gerhard Stock, et al.Nature Communications|June 12, 2020
Multisecond ligand dissociation dynamics from atomistic simulationsSteffen Wolf, Benjamin Lickert, Simon Bray, et al.Journal of Chemical Theory and Computation|August 22, 2019
Energy Transport Pathways in Proteins: A Non-equilibrium Molecular Dynamics Simulation StudyAdnan Gulzar, Luis Valiño Borau, Sebastian Buchenberg, et al.The Journal of Physical Chemistry Letters|October 17, 2022
Nonequilibrium Modeling of the Elementary Step in PDZ3 Allosteric CommunicationAhmed A A I Ali, Adnan Gulzar, Steffen Wolf, et al.Chemical Science|June 24, 2021
Hierarchical dynamics in allostery following ATP hydrolysis monitored by single molecule FRET measurements and MD simulationsSteffen Wolf, Benedikt Sohmen, Björn Hellenkamp, et al.Journal of the American Chemical Society|June 12, 2019
Photocontrolling Protein-Peptide Interactions: From Minimal Perturbation to Complete UnbindingBrankica Jankovic, Adnan Gulzar, Claudio Zanobini, et al.The Journal of Chemical Physics|May 8, 2024
Nonadiabatic dynamics of molecules interacting with metal surfaces: A quantum-classical approach based on Langevin dynamics and the hierarchical equations of motionSamuel L Rudge, Christoph Kaspar, Robin L Grether, et al.Physical Review Letters|April 28, 2009
Classical simulation of quantum energy flow in biomoleculesGerhard StockThe Journal of Physical Chemistry. B|October 23, 2018
Azidohomoalanine: A Minimally Invasive, Versatile, and Sensitive Infrared Label in Proteins To Study Ligand BindingClaudio Zanobini, Olga Bozovic, Brankica Jankovic, et al.Journal of Chemical Theory and Computation|April 9, 2016
Robust Density-Based Clustering To Identify Metastable Conformational States of ProteinsFlorian Sittel, Gerhard StockPageof 15