2008
Improved Solution-State Properties of Monoclonal Antibodies by Targeted Mutations
Sebastian Kube , Daniel Seeliger , AlexanderB. Kuhn , Michaela Blech
The Journal of Physical Chemistry
2017
Towards computional specificity screening of DNA-binding proteins
Daniel Seeliger , Floris P. Buelens , Maik Goette , Bert L. de Groot
Nucleic Acids Research 39 ( 19) 8281 -8290
15
2011
BIreactive: A Machine-Learning Model to Estimate Covalent Warhead Reactivity
Daniel Seeliger , Christofer S. Tautermann , Alexander Weber , Ferruccio Palazzesi
Journal of Chemical Information and Modeling 60 ( 6) 2915 -2923
5
2020
Protein Thermostability Calculations Using Alchemical Free Energy Simulations
Daniel Seeliger , Bert L. de Groot
Biophysical Journal 98 ( 10) 2309 -2316
201
2010
Insights from the first Principles based large scale protein thermostability calculations.
Vytautas Gapsys , Servaas Michielssens , Daniel Seeliger , Bert L. de Groot
Biophysical Journal 110 ( 3)
1
2016
Internal Sodium in GPCRs Strongly Responds to Transmembrane Voltage Changes
Owen N. Vickery , Jan-Phillip Machtens , Giulia Tamburrino , Daniel Seeliger
Biophysical Journal 110 ( 3) 425a -426a
2016
The Thermodynamic Influence of Trapped Water Molecules on a Protein-Ligand Interaction
Christian M. Stegmann , Daniel Seeliger , George M. Sheldrick , Bert L. de Groot
Angewandte Chemie 48 ( 28) 5207 -5210
33
2009
Secondary allosteric M3 receptor binding for tiotropium: implications for bronchoprotection and functional interactions with LABAs
Reinoud Gosens , Loes Kistemaker , Carolina Elzinga , Christofer Tautermann
European Respiratory Journal 50
2017
Development of scoring functions for antibody sequence assessment and optimization.
Daniel Seeliger
PLOS ONE 8 ( 10)
14
2013
Enhancing Drug Residence Time by Shielding of Intra-Protein Hydrogen Bonds: A Case Study on CCR2 Antagonists.
Aniket Magarkar , Gisela Schnapp , Anna-Katharina Apel , Daniel Seeliger
ACS Medicinal Chemistry Letters 10 ( 3) 324 -328
11
2019
Molecular structure of human GM-CSF in complex with a disease-associated anti-human GM-CSF autoantibody and its potential biological implications
Michaela Blech , Daniel Seeliger , Barbara Kistler , Margit M. T. Bauer
Biochemical Journal 447 ( 2) 205 -215
14
2012
Specificity Profiles for DNA-Binding Proteins from Exhaustive In-Silico Screening
Daniel Seeliger , Floris P. Buelens , Maik Goette , de Groot L. Bert
Biophysical Journal 102 ( 3)
2012
New Soft-Core Potential Function for Molecular Dynamics Based Alchemical Free Energy Calculations.
Vytautas Gapsys , Daniel Seeliger , Bert L. de Groot
Journal of Chemical Theory and Computation 8 ( 7) 2373 -2382
92
2012
Large scale relative protein ligand binding affinities using non-equilibrium alchemy.
Vytautas Gapsys , Laura Pérez-Benito , Matteo Aldeghi , Daniel Seeliger
Chemical Science 11 ( 4) 1140 -1152
121
2020
A designed conformational shift to control protein binding specificity.
Servaas Michielssens , Jan Henning Peters , David Ban , Supriya Pratihar
Angewandte Chemie 53 ( 39) 10367 -10371
39
2014
Structure-guided residence time optimization of a dabigatran reversal agent
Felix Schiele , Joanne van Ryn , Tobias Litzenburger , Michael Ritter
mAbs 7 ( 5) 871 -880
8
2015
Boosting antibody developability through rational sequence optimization
Daniel Seeliger , Patrick Schulz , Tobias Litzenburger , Julia Spitz
mAbs 7 ( 3) 505 -515
35
2015
tCONCOORD-GUI: visually supported conformational sampling of bioactive molecules.
Daniel Seeliger , Bert L. De Groot
Journal of Computational Chemistry 30 ( 7) 1160 -1166
33
2009
Pmx: Automated protein structure and topology generation for alchemical perturbations.
Vytautas Gapsys , Servaas Michielssens , Daniel Seeliger , Bert L. de Groot
Journal of Computational Chemistry 36 ( 5) 348 -354
173
2015
Bert L. de Groot vytautas gapsys servaas Michielssens Helmut Grubmuller Ulrich Zachariae Markus Wahl george sheldrick Christian M Stegmann Joan Cerdà Luque Sabine Flitsch Phanindra Velisetty Vriend G Robert Schneider Monika Sharma Supriya Pratihar David Ban Jan Henning Peters Donghan Lee Nagarajan Vaidehi