Binding Region of Alanopine Dehydrogenase Predicted by Unbiased Molecular Dynamics Simulations of Ligand Diffusion. - Holger Gohlke; Ulrike Hergert; Tatu Meyer; Daniel Mulnaes; Manfred K. Grieshaber; Sander H. J. Smits; Lutz Schmitt (J. Chem. Inf. Model., 2013)

VisualCNA: a GUI for interactive constraint network analysis and protein engineering for improving thermostability. - Prakash Chandra Rathi; Daniel Mulnaes; Holger Gohlke (Bioinform., 2015)

TopSuite Web Server: A Meta-Suite for Deep-Learning-Based Protein Structure and Quality Prediction. - Daniel Mulnaes; Filip Koenig; Holger Gohlke (J. Chem. Inf. Model., 2021)

Promiscuous Esterases Counterintuitively Are Less Flexible than Specific Ones. - Christina Nutschel; Cristina Coscolín; Benoit David; Daniel Mulnaes; Manuel Ferrer; Karl-Erich Jaeger; Holger Gohlke (J. Chem. Inf. Model., 2021)