Electrostatic solvent effects on the electronic structure of ground and excited states of molecules: Applications of a cavity model based upon a finite element method. - Thomas Fox; Notker Rösch; Randy J. Zauhar (J. Comput. Chem., 1993)

Computer based screening of compound databases: 1. Preselection of benzamidine-based thrombin inhibitors. - Thomas Fox; Eric E. J. Haaksma (J. Comput. Aided Mol. Des., 2000)

A support vector machine approach to classify human cytochrome P450 3A4 inhibitors. - Jan M. Kriegl; Thomas Arnhold; Bernd Beck; Thomas Fox (J. Comput. Aided Mol. Des., 2005)

Bias-Correction of Regression Models: A Case Study on hERG Inhibition. - Katja Hansen; Fabian Rathke; Timon Schroeter; Georg Rast; Thomas Fox; Jan M. Kriegl; Sebastian Mika (J. Chem. Inf. Model., 2009)

A challenging system: Free energy prediction for factor Xa. - Hannes G. Wallnoefer; Klaus R. Liedl; Thomas Fox (J. Comput. Chem., 2011)

A GRID-Derived Water Network Stabilizes Molecular Dynamics Computer Simulations of a Protease. - Hannes G. Wallnoefer; Klaus R. Liedl; Thomas Fox (J. Chem. Inf. Model., 2011)

Economical and Accurate Protocol for Calculating Hydrogen-Bond-Acceptor Strengths. - Ahmed M. El Kerdawy; Christofer S. Tautermann; Timothy Clark; Thomas Fox (J. Chem. Inf. Model., 2013)

Modellierung und Generierung von Testdaten für Datenbank-basierte Anwendungen. - Nikolaus Moll; Christian Baranowski; Thomas Fox; Jürgen Wäsch (Informatiktage, 2014)

Accuracy Assessment and Automation of Free Energy Calculations for Drug Design. - Clara D. Christ; Thomas Fox (J. Chem. Inf. Model., 2014)

Heteroaromatic π-Stacking Energy Landscapes. - Roland G. Huber; Michael A. Margreiter; Julian E. Fuchs; Susanne von Grafenstein; Christofer S. Tautermann; Klaus R. Liedl; Thomas Fox (J. Chem. Inf. Model., 2014)

Peptidic Macrocycles - Conformational Sampling and Thermodynamic Characterization. - Anna S. Kamenik; Uta F. Lessel; Julian E. Fuchs; Thomas Fox; Klaus R. Liedl (J. Chem. Inf. Model., 2018)

Assessing the accuracy of octanol-water partition coefficient predictions in the SAMPL6 Part II log P Challenge. - Mehtap Isik; Teresa Danielle Bergazin; Thomas Fox; Andrea Rizzi; John D. Chodera; David L. Mobley (J. Comput. Aided Mol. Des., 2020)

A Cryo-CMOS Transmon Qubit Controller and Verification with FPGA Emulation. - Kevin Tien; Ken Inoue; Scott Lekuch; David J. Frank; Sudipto Chakraborty; Pat Rosno; Thomas Fox; Mark Yeck; Joseph A. Glick; Raphael Robertazzi; Ray Richetta; John F. Bulzacchelli; et al. (DATE, 2022)

A Cryo-CMOS Low-Power Semi-Autonomous Qubit State Controller in 14nm FinFET Technology. - David J. Frank; Sudipto Chakraborty; Kevin Tien; Pat Rosno; Thomas Fox; Mark Yeck; Joseph A. Glick; Raphael Robertazzi; Ray Richetta; John F. Bulzacchelli; Daniel Ramirez; Dereje Yilma; et al. (ISSCC, 2022)

Protocol for iterative optimization of modified peptides bound to protein targets. - Rodrigo Ochoa; Pilar Cossio; Thomas Fox (J. Comput. Aided Mol. Des., 2022)

Collaborative Assessment of Molecular Geometries and Energies from the Open Force Field. - Lorenzo D'amore; David F. Hahn; David L. Dotson; Joshua T. Horton; Jamshed Anwar; Ian Craig; Thomas Fox; Alberto Gobbi; Sirish Kaushik Lakkaraju; Xavier Lucas; Katharina Meier; David L. Mobley; et al. (J. Chem. Inf. Model., 2022)

BILN: A Human-Readable Line Notation for Complex Peptides. - Thomas Fox; Michael Bieler; Peter Haebel; Rodrigo Ochoa; Stefan Peters; Alexander Weber 002 (J. Chem. Inf. Model., 2022)

A Cryo-CMOS Low-Power Semi-Autonomous Transmon Qubit State Controller in 14-nm FinFET Technology. - Sudipto Chakraborty; David J. Frank; Kevin Tien; Pat Rosno; Mark Yeck; Joseph A. Glick; Raphael Robertazzi; Ray Richetta; John F. Bulzacchelli; Devin Underwood; Daniel Ramirez; Dereje Yilma; et al. (IEEE J. Solid State Circuits, 2022)

pyPept: a python library to generate atomistic 2D and 3D representations of peptides. - Rodrigo Ochoa; J. B. Brown; Thomas Fox (J. Cheminformatics, 2023)