Investigating Polypharmacology through Targeting Known Human Neutrophil Elastase Inhibitors to Proteinase 3. - Gartan, Parveen; Khorsand, Fahimeh; Mizar, Pushpak; Vahokovski, Juha Ilmari; Cervantes, Luis F.; Haug, Bengt Erik; Brenk, Ruth; Brooks, Charles L., III; Reuter, Nathalie (J. Chem. Inf. Model., 2024)

Standard Binding Free Energy and Membrane Desorption Mechanism for a Phospholipase C. - Moutoussamy, Emmanuel E.; Khan, Hanif M.; Roberts, Mary F.; Gershenson, Anne; Chipot, Christophe; Reuter, Nathalie (J. Chem. Inf. Model., 2022)

PDBe-KB: collaboratively defining the biological context of structural data. - Varadi, Mihaly; Anyango, Stephen; Armstrong, David R.; Berrisford, John M.; Choudhary, Preeti; Deshpande, Mandar S.; Nadzirin, Nurul; Nair, Sreenath; Pravda, Lukás; Tanweer, Ahsan; Al-Lazikani, Bissan; Andreini, Claudia; et al. (Nucleic Acids Res., 2022)

Specificity of Loxosceles α clade phospholipase D enzymes for choline-containing lipids: Role of a conserved aromatic cage. - Moutoussamy, Emmanuel E.; Waheed, Qaiser; Binford, Greta J.; Khan, Hanif M.; Moran, Shane M.; Eitel, Anna R.; Cordes, Matthew H. J.; Reuter, Nathalie (PLoS Comput. Biol., 2022)

Dissecting peripheral protein-membrane interfaces. - Tubiana, Thibault; Sillitoe, Ian; Orengo, Christine A.; Reuter, Nathalie (PLoS Comput. Biol., 2022)

Visual exploration of large normal mode spaces to study protein flexibility. - Bedoucha, Pierre; Reuter, Nathalie; Hauser, Helwig; Byska, Jan (Comput. Graph., 2020)

Classification and phylogeny for the annotation of novel eukaryotic GNAT acetyltransferases. - Krtenic, Bojan; Drazic, Adrian; Arnesen, Thomas; Reuter, Nathalie (PLoS Comput. Biol., 2020)

A model for hydrophobic protrusions on peripheral membrane proteins. - Fuglebakk, Edvin; Reuter, Nathalie (PLoS Comput. Biol., 2018)

Similarity in Shape Dictates Signature Intrinsic Dynamics Despite No Functional Conservation in TIM Barrel Enzymes. - Tiwari, Sandhya P.; Reuter, Nathalie (PLoS Comput. Biol., 2016)

WEBnm@ v2.0: Web server and services for comparing protein flexibility. - Tiwari, Sandhya P.; Fuglebakk, Edvin; Hollup, Siv Midtun; Skjærven, Lars; Cragnolini, Tristan; Grindhaug, Svenn Helge; Tekle, Kidane M.; Reuter, Nathalie (BMC Bioinform., 2014)

Visual cavity analysis in molecular simulations. - Parulek, Július; Turkay, Cagatay; Reuter, Nathalie; Viola, Ivan (BMC Bioinform., 2013)

Measuring and comparing structural fluctuation patterns in large protein datasets. - Fuglebakk, Edvin; Echave, Julian; Reuter, Nathalie (Bioinform., 2012)

Implicit surfaces for interactive graph based cavity analysis of molecular simulations. - Parulek, Július; Turkay, Cagatay; Reuter, Nathalie; Viola, Ivan (2012)

Interactive Visual Analysis of Temporal Cluster Structures. - Turkay, Cagatay; Parulek, Július; Reuter, Nathalie; Hauser, Helwig (Comput. Graph. Forum, 2011)

Conformational Sampling and Nucleotide-Dependent Transitions of the GroEL Subunit Probed by Unbiased Molecular Dynamics Simulations. - Skjaerven, Lars; Grant, Barry J.; Muga, Arturo; Teigen, Knut; McCammon, James Andrew; Reuter, Nathalie; Martinez, Aurora (PLoS Comput. Biol., 2011)

Integrating cluster formation and cluster evaluation in interactive visual analysis. - Turkay, Cagatay; Parulek, Július; Reuter, Nathalie; Hauser, Helwig (2011)

TMM@: a web application for the analysis of transmembrane helix mobility. - Skjaerven, Lars; Jonassen, Inge; Reuter, Nathalie (BMC Bioinform., 2007)

Two-Level Approach to Efficient Visualization of Protein Dynamics. - Lampe, Ove Daae; Viola, Ivan; Reuter, Nathalie; Hauser, Helwig (IEEE Trans. Vis. Comput. Graph., 2007)

WEBnm@: a web application for normal mode analyses of proteins. - Hollup, Siv Midtun; Sælensminde, Gisle; Reuter, Nathalie (BMC Bioinform., 2005)

The search for a new model structure of beta-Factor XIIa. - Henriques, Elsa S.; Floriano, Wely B.; Reuter, Nathalie; Melo, André; Brown, David; Gomes, José A. N. F.; Maigret, Bernard; Nascimento, Marco A. C.; Ramos, Maria João (J. Comput. Aided Mol. Des., 2001)