Michael Schauperl

Publication Activity (10 Years)

Years Active: 2016-2022
Publications (10 Years): 9

Top Topics

Protein Structure Prediction

Top Venues

J. Chem. Inf. Model.

J. Comput. Aided Mol. Des.

Publications

Michael Schauperl, Rajiah Aldrin Denny
AI-Based Protein Structure Prediction in Drug Discovery: Impacts and Challenges. J. Chem. Inf. Model. 62 (13) (2022)
K. Kellett, David R. Slochower, Michael Schauperl, B. M. Duggan, Michael K. Gilson
Experimental characterization of the association of β-cyclodextrin and eight novel cyclodextrin derivatives with two guest compounds. J. Comput. Aided Mol. Des. 35 (1) (2021)
Alex Zhou, Michael Schauperl, Paul S. Nerenberg
Benchmarking Electronic Structure Methods for Accurate Fixed-Charge Electrostatic Models. J. Chem. Inf. Model. 60 (1) (2020)
Anna S. Kamenik, Johannes Kraml, Florian Hofer, Franz Waibl, Patrick K. Quoika, Ursula Kahler, Michael Schauperl, Klaus R. Liedl
Macrocycle Cell Permeability Measured by Solvation Free Energies in Polar and Apolar Environments. J. Chem. Inf. Model. 60 (7) (2020)
Johannes R. Loeffler, Monica L. Fernández-Quintero, Michael Schauperl, Klaus R. Liedl
STACKED - Solvation Theory of Aromatic Complexes as Key for Estimating Drug Binding. J. Chem. Inf. Model. 60 (4) (2020)
Johannes Kraml, Florian Hofer, Anna S. Kamenik, Franz Waibl, Ursula Kahler, Michael Schauperl, Klaus R. Liedl
Solvation Thermodynamics in Different Solvents: Water-Chloroform Partition Coefficients from Grid Inhomogeneous Solvation Theory. J. Chem. Inf. Model. 60 (8) (2020)
Johannes R. Loeffler, Michael Schauperl, Klaus R. Liedl
Hydration of Aromatic Heterocycles as an Adversary of π-Stacking. J. Chem. Inf. Model. 59 (10) (2019)
Michael Schauperl, Paul Czodrowski, Julian E. Fuchs, Roland G. Huber, Birgit J. Waldner, Maren Podewitz, Christian Kramer, Klaus R. Liedl
Binding Pose Flip Explained via Enthalpic and Entropic Contributions. J. Chem. Inf. Model. 57 (2) (2017)
Birgit J. Waldner, Julian E. Fuchs, Michael Schauperl, Christian Kramer, Klaus R. Liedl
Protease Inhibitors in View of Peptide Substrate Databases. J. Chem. Inf. Model. 56 (6) (2016)