Michael Schauperl

10PUBLICATIONS
15CO-AUTHORS
Statistical mechanics, physical combinatorics and mathematical aspects of condensed matterBiomolecular modelling and designStatistical mechanics in chemistryTheoretical quantum chemistryChemical thermodynamics and energetics
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Publications (10)

|Jan 19, 2024
A Fast, Convenient, Polarizable Electrostatic Model for Molecular Dynamics.

Liangyue Wang, Michael Schauperl, David L Mobley

|Jun 21, 2022
AI-Based Protein Structure Prediction in Drug Discovery: Impacts and Challenges.

Michael Schauperl, Rajiah Aldrin Denny

|Apr 03, 2021
Quantum Chemical Microsolvation by Automated Water Placement.

Miguel Steiner, Tanja Holzknecht, Michael Schauperl

|Jan 10, 2020
Data-Driven Mapping of Gas-Phase Quantum Calculations to General Force Field Lennard-Jones Parameters.

Sophie M Kantonen, Hari S Muddana, Michael Schauperl

|Dec 06, 2019
Benchmarking Electronic Structure Methods for Accurate Fixed-Charge Electrostatic Models.

Alex Zhou, Michael Schauperl, Paul S Nerenberg

|Oct 08, 2019
Solvation Free Energy as a Measure of Hydrophobicity: Application to Serine Protease Binding Interfaces.

Johannes Kraml, Anna S Kamenik, Franz Waibl

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Frequent Collaborators

4 joint publications

Maren Podewitz

4 joint publications

Klaus R Liedl

2 joint publications

Johannes R Loeffler

2 joint publications

Michael K Gilson