Daniel Seeliger

Publication Activity (10 Years)

Years Active: 2019-2021
Publications (10 Years): 5

Top Topics

Molecularly Imprinted

Machine Learning

Molecular Dynamics Simulations

Top Venues

Chemical science

Journal of medicinal chemistry

Journal of chemical information and modeling

Journal of chemical theory and computation

This page only lists publications with an associated author ORCID identifier.

Publications

Stevan Aleksić, Daniel Seeliger, J B Brown
ADMET Predictability at Boehringer Ingelheim: State-of-the-Art, and Do Bigger Datasets or Algorithms Make a Difference? Molecular informatics (2021)
Sebastian W Draxler, Margit Bauer, Christian Eickmeier, Simon Nadal, Herbert Nar, Daniel Rangel Rojas, Daniel Seeliger, Markus Zeeb, Dennis Fiegen
Hybrid Screening Approach for Very Small Fragments: X-ray and Computational Screening on FKBP51. Journal of medicinal chemistry 63 (11) (2020)
Ferruccio Palazzesi, Markus R Hermann, Marc A Grundl, Alexander Pautsch, Daniel Seeliger, Christofer S Tautermann, Alexander Weber
BIreactive: A Machine-Learning Model to Estimate Covalent Warhead Reactivity. Journal of chemical information and modeling 60 (6) (2020)
Vytautas Gapsys, Laura Perez Benito, Matteo Aldeghi, Daniel Seeliger, Herman W T van Vlijmen, Gary John Tresadern, Bert L de Groot
Large scale relative protein ligand binding affinities using non-equilibrium alchemy. Chemical science 11 (4) (2019)
Stephanie Maria Linker, Aniket Magarkar, Jürgen Köfinger, Gerhard Hummer, Daniel Seeliger
Fragment Binding Pose Predictions Using Unbiased Simulations and Markov-State Models. Journal of chemical theory and computation 15 (9) (2019)