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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.The Journal of Physical Chemistry. B|January 10, 2026
Contact Cluster Modeling of Allosteric Communication in PDZ DomainsEmanuel Dorbath, Fabian Rudolf, Adnan Gulzar, et al.The Journal of Chemical Physics|March 10, 2019
Dynamical coring of Markov state modelsDaniel Nagel, Anna Weber, Benjamin Lickert, et al.Biophysical Journal|May 30, 2006
Photoinduced conformational dynamics of a photoswitchable peptide: a nonequilibrium molecular dynamics simulation studyPhuong H Nguyen, Roman D Gorbunov, Gerhard StockThe Journal of Chemical Physics|December 5, 2025
Universal structure in the relaxation of photoactive proteinsPhilipp Janke, Emanuel Dorbath, Gerhard Stock, et al.The Journal of Chemical Physics|January 26, 2010
Nonequilibrium molecular dynamics simulation of the energy transport through a peptide helixPhuong H Nguyen, Sang-Min Park, Gerhard StockJournal of Chemical Theory and Computation|November 22, 2024
Allosteric Communication Mediated by Protein Contact Clusters: A Dynamical ModelAhmed A A I Ali, Emanuel Dorbath, Gerhard StockThe Journal of Chemical Physics|July 7, 2007
Dihedral angle principal component analysis of molecular dynamics simulationsAlexandros Altis, Phuong H Nguyen, Rainer Hegger, et al.Pageof 11