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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.Journal of the American Chemical Society|February 1, 2007
Structure and dynamics of the homologous series of alanine peptides: a joint molecular dynamics/NMR studyJürgen Graf, Phuong H Nguyen, Gerhard Stock, et al.Journal of Chemical Information and Modeling|September 30, 2022
Ligand Unbinding Pathway and Mechanism Analysis Assisted by Machine Learning and Graph MethodsSimon Bray, Victor Tänzel, Steffen WolfThe Journal of Physical Chemistry. B|September 24, 2011
Real time observation of ultrafast peptide conformational dynamics: molecular dynamics simulation vs infrared experimentPhuong H Nguyen, Heike Staudt, Josef Wachtveitl, et al.Proceedings of the National Academy of Sciences of the United States of America|June 29, 2011
Proton transfer via a transient linear water-molecule chain in a membrane proteinErik Freier, Steffen Wolf, Klaus GerwertBiochimica Et Biophysica Acta|September 24, 2013
The role of protein-bound water molecules in microbial rhodopsinsKlaus Gerwert, Erik Freier, Steffen WolfJournal of Chemical Theory and Computation|June 12, 2024
Learning Protein-Ligand Unbinding Pathways via Single-Parameter Community DetectionVictor Tänzel, Miriam Jäger, Steffen WolfJournal of Chemical Theory and Computation|December 20, 2021
Predicting Ion Channel Conductance via Dissipation-Corrected Targeted Molecular Dynamics and Langevin Equation SimulationsMiriam Jäger, Thorsten Koslowski, Steffen WolfPageof 15