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The Journal of Physical Chemistry Letters|April 10, 2018
Machine Learning of Biomolecular Reaction CoordinatesSimon Brandt, Florian Sittel, Matthias Ernst, et al.The Journal of Chemical Physics|November 18, 2009
Molecular dynamics simulation of cooling: heat transfer from a photoexcited peptide to the solventSang-Min Park, Phuong H Nguyen, Gerhard StockJournal of Chemical Theory and Computation|March 17, 2018
MELD-Path Efficiently Computes Conformational Transitions, Including Multiple and Diverse PathsAlberto Perez, Florian Sittel, Gerhard Stock, et al.The Journal of Chemical Physics|June 25, 2005
Ab initio-based exciton model of amide I vibrations in peptides: definition, conformational dependence, and transferabilityRoman D Gorbunov, Daniil S Kosov, Gerhard StockThe 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.The Journal of Physical Chemistry Letters|April 2, 2026
Lost in Projection? Gaussian Filtering Recovers Hidden Conformational StatesSofia Sartore, Daniel Nagel, Georg Diez, et al.The Journal of Chemical Physics|November 17, 2016
Global Langevin model of multidimensional biomolecular dynamicsNorbert Schaudinnus, Benjamin Lickert, Mithun Biswas, et al.Journal of Chemical Theory and Computation|December 2, 2015
Influence of Nitroxide Spin Labels on RNA Structure: A Molecular Dynamics Simulation StudyHang Yu, Yuguang Mu, Lars Nordenskiöld, et al.Physical Review Letters|August 15, 2015
Multidimensional Langevin Modeling of Nonoverdamped DynamicsNorbert Schaudinnus, Björn Bastian, Rainer Hegger, et al.Nature Communications|June 12, 2020
Multisecond ligand dissociation dynamics from atomistic simulationsSteffen Wolf, Benjamin Lickert, Simon Bray, et al.Pageof 15