Thomas Fox

6PUBLICATIONS
34CO-AUTHORS
Degenerate quantum gases and atom opticsGene expression (incl. microarray and other genome-wide approaches)Computational chemistryStatistical mechanics, physical combinatorics and mathematical aspects of condensed matterProteomics and intermolecular interactions (excl. medical proteomics)
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Publications (6)

|Apr 03, 2023
Accurate non-covalent interaction energies on noisy intermediate-scale quantum computers via second-order symmetry-adapted perturbation theory.

Matthias Loipersberger, Fionn D Malone, Alicia R Welden

|Feb 02, 2023
Discovery of a Novel Potent and Selective HSD17B13 Inhibitor, BI-3231, a Well-Characterized Chemical Probe Available for Open Science.

Sven Thamm, Marina K Willwacher, Gary E Aspnes

|Nov 26, 2022
Collaborative Assessment of Molecular Geometries and Energies from the Open Force Field.

Lorenzo D'Amore, David F Hahn, David L Dotson

|Oct 12, 2022
BRD4: quantum mechanical protein-ligand binding free energies using the full-protein DFT-based QM-PBSA method.

Lennart Gundelach, Thomas Fox, Christofer S Tautermann

|Aug 19, 2022
BILN: A Human-Readable Line Notation for Complex Peptides.

Thomas Fox, Michael Bieler, Peter Haebel

|Feb 29, 2020
Assessing the accuracy of octanol-water partition coefficient predictions in the SAMPL6 Part II log P Challenge.

Mehtap Işık, Teresa Danielle Bergazin, Thomas Fox

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Frequent Collaborators

2 joint publications

Christofer S Tautermann

1 joint publications

Mehtap Işık

1 joint publications

Teresa Danielle Bergazin

1 joint publications

Andrea Rizzi