Peter Schmidtke

11 papers A* 1Journal 10
YearRankTypeTitle / Venue / Authors
2024 J jnl
MELLODDY: Cross-pharma Federated Learning at Unprecedented Scale Unlocks Benefits in QSAR without Compromising Proprietary Information.
J. Chem. Inf. Model.
Wouter Heyndrickx, Lewis H. Mervin, Tobias Morawietz, Noé Sturm, Lukas Friedrich, Adam Zalewski, Anastasia Pentina, Lina Humbeck, Martijn Oldenhof, Ritsuya Niwayama, Peter Schmidtke, Nikolas Fechner, Jaak Simm, Adam Arany, Nicolas Drizard, Rama Jabal, Arina Afanasyeva, Regis Loeb, Shlok Verma, Simon Harnqvist, Matthew Holmes, Balazs Pejo, Maria Telenczuk, Nicholas Holway, Arne Dieckmann, Nicola Rieke, Friederike Zumsande, Djork-Arné Clevert, Michael Krug, Christopher N. Luscombe, Darren V. S. Green, Peter Ertl, Peter Antal, David Marcus, Nicolas Do Huu, Hideyoshi Fuji, Stephen D. Pickett, Gergely Ács, Eric Boniface, Bernd Beck, Yax Sun, Arnaud Gohier, Friedrich Rippmann, Ola Engkvist, Andreas H. Göller, Yves Moreau, Mathieu N. Galtier, Ansgar Schuffenhauer, Hugo Ceulemans
2023 A* conf
Industry-Scale Orchestrated Federated Learning for Drug Discovery.
AAAI
Martijn Oldenhof, Gergely Ács, Balázs Pejó, Ansgar Schuffenhauer, Nicholas Holway, Noé Sturm, Arne Dieckmann, Oliver Fortmeier, Eric Boniface, Clément Mayer, Arnaud Gohier, Peter Schmidtke, Ritsuya Niwayama, Dieter Kopecky, Lewis H. Mervin, Prakash Chandra Rathi, Lukas Friedrich, András Formanek, Peter Antal, Jordon Rahaman, Adam Zalewski, Wouter Heyndrickx, Ezron Oluoch, Manuel Stößel, Michal Vanco, David Endico, Fabien Gelus, Thaïs de Boisfossé, Adrien Darbier, Ashley Nicollet, Matthieu Blottière, Maria Telenczuk, Van Tien Nguyen, Thibaud Martinez, Camille Boillet, Kelvin Moutet, Alexandre Picosson, Aurélien Gasser, Inal Djafar, Antoine Simon, Adam Arany, Jaak Simm, Yves Moreau, Ola Engkvist, Hugo Ceulemans, Camille Marini, Mathieu Galtier
2022 J jnl
Industry-Scale Orchestrated Federated Learning for Drug Discovery.
CoRR
Martijn Oldenhof, Gergely Ács, Balázs Pejó, Ansgar Schuffenhauer, Nicholas Holway, Noé Sturm, Arne Dieckmann, Oliver Fortmeier, Eric Boniface, Clément Mayer, Arnaud Gohier, Peter Schmidtke, Ritsuya Niwayama, Dieter Kopecky, Lewis H. Mervin, Prakash Chandra Rathi, Lukas Friedrich, András Formanek, Peter Antal, Jordon Rahaman, Adam Zalewski, Ezron Oluoch, Manuel Stößel, Michal Vanco, David Endico, Fabien Gelus, Thaïs de Boisfossé, Adrien Darbier, Ashley Nicollet, Matthieu Blottière, Maria Telenczuk, Van Tien Nguyen, Thibaud Martinez, Camille Boillet, Kelvin Moutet, Alexandre Picosson, Aurélien Gasser, Inal Djafar, Adam Arany, Jaak Simm, Yves Moreau, Ola Engkvist, Hugo Ceulemans, Camille Marini, Mathieu Galtier
2014 J jnl
Dynamics of hERG Closure Allow Novel Insights into hERG Blocking by Small Molecules.
J. Chem. Inf. Model.
Peter Schmidtke, Marine Ciantar, Isabelle Theret, Pierre Ducrot
2014 J jnl
Fuzzy context specific matched molecular pairs.
J. Cheminformatics
Peter Schmidtke, Vincent Le Guilloux
2014 J jnl
rDock: A Fast, Versatile and Open Source Program for Docking Ligands to Proteins and Nucleic Acids.
PLoS Comput. Biol.
Sergio Ruiz-Carmona, Daniel Alvarez-Garcia, Nicolas Foloppe, A. Beatriz Garmendia-Doval, Szilveszter Juhos, Peter Schmidtke, Xavier Barril, Roderick E. Hubbard, S. David Morley
2013 J jnl
Towards a complete structure of the hERG channel.
J. Cheminformatics
Peter Schmidtke, Ciantar Marine, Isabelle Theret, Pierre Ducrot
2011 J jnl
MDpocket: open-source cavity detection and characterization on molecular dynamics trajectories.
Bioinform.
Peter Schmidtke, Axel Bidon-Chanal, F. Javier Luque, Xavier Barril
2010 J jnl
Large-Scale Comparison of Four Binding Site Detection Algorithms.
J. Chem. Inf. Model.
Peter Schmidtke, Catherine Souaille, Frédéric Estienne, Nicolas Baurin, Romano T. Kroemer
2010 J jnl
fpocket: online tools for protein ensemble pocket detection and tracking.
Nucleic Acids Res.
Peter Schmidtke, Vincent Le Guilloux, Julien Maupetit, Pierre Tufféry
2009 J jnl
Fpocket: An open source platform for ligand pocket detection.
BMC Bioinform.
Vincent Le Guilloux, Peter Schmidtke, Pierre Tufféry