List of works - Gerhard Stock

2D-IR Spectroscopy of an AHA Labeled Photoswitchable PDZ2 Domain.

scientific article published on 21 November 2017

A non-equilibrium approach to allosteric communication

scientific article published on 01 June 2018

Correlation-Based Feature Selection to Identify Functional Dynamics in Proteins

scientific article published on 06 July 2022

Dynamical coring of Markov state models

scientific article published on 01 March 2019

Energy Transport Pathways in Proteins: A Non-equilibrium Molecular Dynamics Simulation Study

scientific article published on 04 September 2019

Identification and Validation of Reaction Coordinates Describing Protein Functional Motion: Hierarchical Dynamics of T4 Lysozyme

scientific article

MELD-Path Efficiently Computes Conformational Transitions, Including Multiple and Diverse Paths.

scientific article

MSMPathfinder: Identification of Pathways in Markov State Models

scientific article published on 03 November 2020

Machine Learning of Biomolecular Reaction Coordinates.

scientific article published on 9 April 2018

Master equation model to predict energy transport pathways in proteins

scientific article published on 01 January 2020

Metadynamics Enhanced Markov Modeling of Protein Dynamics.

scientific article published on 16 January 2018

Modeling non-Markovian data using Markov state and Langevin models

scientific article published on 01 December 2020

Molecular Origin of Driving-Dependent Friction in Fluids

scientific article published on 20 April 2022

Multisecond ligand dissociation dynamics from atomistic simulations

scientific article published on 10 June 2020

Perspective: Identification of collective variables and metastable states of protein dynamics

article

Photocontrolling Protein-Peptide Interactions: From Minimal Perturbation to Complete Unbinding

scientific article published on 26 June 2019

Principal component analysis of nonequilibrium molecular dynamics simulations

scientific article published on 01 May 2019

Real-time observation of ligand-induced allosteric transitions in a PDZ domain

scientific article published on 05 October 2020

Targeted molecular dynamics calculations of free energy profiles using a nonequilibrium friction correction