Nathalie Reuter

21 papers Journal 19Unranked 2
YearRankTypeTitle / Venue / Authors
2025 J jnl
Core Flipping in Lead Optimization: Rank Ordering Using λ-Dynamics.
J. Chem. Inf. Model.
Parveen Gartan, Charles L. Brooks III, Nathalie Reuter
2024 J jnl
Investigating Polypharmacology through Targeting Known Human Neutrophil Elastase Inhibitors to Proteinase 3.
J. Chem. Inf. Model.
Parveen Gartan, Fahimeh Khorsand, Pushpak Mizar, Juha Ilmari Vahokovski, Luis F. Cervantes, Bengt Erik Haug, Ruth Brenk, Charles L. Brooks III, Nathalie Reuter
2022 J jnl
Dissecting peripheral protein-membrane interfaces.
PLoS Comput. Biol.
Thibault Tubiana, Ian Sillitoe, Christine A. Orengo, Nathalie Reuter
2022 J jnl
PDBe-KB: collaboratively defining the biological context of structural data.
Nucleic Acids Res.
Mihaly Varadi, Stephen Anyango, David R. Armstrong, John M. Berrisford, Preeti Choudhary, Mandar S. Deshpande, Nurul Nadzirin, Sreenath Nair, Lukás Pravda, Ahsan Tanweer, Bissan Al-Lazikani, Claudia Andreini, Geoffrey J. Barton, David Bednar, Karel Berka, Tom L. Blundell, Kelly Brock, José María Carazo, Jirí Damborský, Alessia David, Sucharita Dey, Roland L. Dunbrack Jr., Juan Fernández-Recio, Franca Fraternali, Toby J. Gibson, Manuela Helmer-Citterich, David Hoksza, Thomas A. Hopf, David Jakubec, Natarajan Kannan, Radoslav Krivák, Manjeet Kumar, Emmanuel D. Levy, Nir London, José Ramón Macías, Mallur Srivatsan Madhusudhan, Debora S. Marks, Lennart Martens, Stuart A McGowan, Jake E. McGreig, Vivek Modi, R. Gonzalo Parra, Gerardo Pepe, Damiano Piovesan, Jaime Prilusky, Valeria Putignano, Leandro G. Radusky, Pathmanaban Ramasamy, Atilio O. Rausch, Nathalie Reuter, Luis A. Rodriguez, Nathan J. Rollins, Antonio Rosato, Pawel Rubach, Luis Serrano, Gulzar Singh, Petr Skoda, Carlos Oscar Sánchez Sorzano, Jan Stourac, Joanna I. Sulkowska, Radka Svobodová Vareková, Natalia Tichshenko, Silvio C. E. Tosatto, Wim F. Vranken, Mark N. Wass, Dandan Xue, Daniel Zaidman, Janet M. Thornton, Michael J. E. Sternberg, Christine A. Orengo, Sameer Velankar
2022 J jnl
Specificity of Loxosceles α clade phospholipase D enzymes for choline-containing lipids: Role of a conserved aromatic cage.
PLoS Comput. Biol.
Emmanuel E. Moutoussamy, Qaiser Waheed, Greta J. Binford, Hanif M. Khan, Shane M. Moran, Anna R. Eitel, Matthew H. J. Cordes, Nathalie Reuter
2022 J jnl
Standard Binding Free Energy and Membrane Desorption Mechanism for a Phospholipase C.
J. Chem. Inf. Model.
Emmanuel E. Moutoussamy, Hanif M. Khan, Mary F. Roberts, Anne Gershenson, Christophe Chipot, Nathalie Reuter
2020 J jnl
Classification and phylogeny for the annotation of novel eukaryotic GNAT acetyltransferases.
PLoS Comput. Biol.
Bojan Krtenic, Adrian Drazic, Thomas Arnesen, Nathalie Reuter
2020 J jnl
Visual exploration of large normal mode spaces to study protein flexibility.
Comput. Graph.
Pierre Bedoucha, Nathalie Reuter, Helwig Hauser, Jan Byska
2018 J jnl
A model for hydrophobic protrusions on peripheral membrane proteins.
PLoS Comput. Biol.
Edvin Fuglebakk, Nathalie Reuter
2016 J jnl
Similarity in Shape Dictates Signature Intrinsic Dynamics Despite No Functional Conservation in TIM Barrel Enzymes.
PLoS Comput. Biol.
Sandhya P. Tiwari, Nathalie Reuter
2014 J jnl
WEBnm@ v2.0: Web server and services for comparing protein flexibility.
BMC Bioinform.
Sandhya P. Tiwari, Edvin Fuglebakk, Siv Midtun Hollup, Lars Skjærven, Tristan Cragnolini, Svenn Helge Grindhaug, Kidane M. Tekle, Nathalie Reuter
2013 J jnl
Visual cavity analysis in molecular simulations.
BMC Bioinform.
Július Parulek, Cagatay Turkay, Nathalie Reuter, Ivan Viola
2012 — conf
Implicit surfaces for interactive graph based cavity analysis of molecular simulations.
BioVis
Július Parulek, Cagatay Turkay, Nathalie Reuter, Ivan Viola
2012 J jnl
Measuring and comparing structural fluctuation patterns in large protein datasets.
Bioinform.
Edvin Fuglebakk, Julian Echave, Nathalie Reuter
2011 J jnl
Conformational Sampling and Nucleotide-Dependent Transitions of the GroEL Subunit Probed by Unbiased Molecular Dynamics Simulations.
PLoS Comput. Biol.
Lars Skjaerven, Barry J. Grant, Arturo Muga, Knut Teigen, James Andrew McCammon, Nathalie Reuter, Aurora Martinez
2011 — conf
Integrating cluster formation and cluster evaluation in interactive visual analysis.
SCC
Cagatay Turkay, Július Parulek, Nathalie Reuter, Helwig Hauser
2011 J jnl
Interactive Visual Analysis of Temporal Cluster Structures.
Comput. Graph. Forum
Cagatay Turkay, Július Parulek, Nathalie Reuter, Helwig Hauser
2007 J jnl
TMM@: a web application for the analysis of transmembrane helix mobility.
BMC Bioinform.
Lars Skjaerven, Inge Jonassen, Nathalie Reuter
2007 J jnl
Two-Level Approach to Efficient Visualization of Protein Dynamics.
IEEE Trans. Vis. Comput. Graph.
Ove Daae Lampe, Ivan Viola, Nathalie Reuter, Helwig Hauser
2005 J jnl
WEBnm@: a web application for normal mode analyses of proteins.
BMC Bioinform.
Siv Midtun Hollup, Gisle Sælensminde, Nathalie Reuter
2001 J jnl
The search for a new model structure of beta-Factor XIIa.
J. Comput. Aided Mol. Des.
Elsa S. Henriques, Wely B. Floriano, Nathalie Reuter, André Melo, David Brown, José A. N. F. Gomes, Bernard Maigret, Marco A. C. Nascimento, Maria João Ramos