Thomas Fox

Orcid: 0000-0002-1054-4701

According to our database1, Thomas Fox authored at least 19 papers between 1993 and 2023.

Collaborative distances:
  • Dijkstra number2 of four.
  • Erdős number3 of four.

Timeline

Legend:

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PhD thesis 
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Links

On csauthors.net:

Bibliography

2023
pyPept: a python library to generate atomistic 2D and 3D representations of peptides.
J. Cheminformatics, December, 2023

2022
A Cryo-CMOS Low-Power Semi-Autonomous Transmon Qubit State Controller in 14-nm FinFET Technology.
IEEE J. Solid State Circuits, 2022

BILN: A Human-Readable Line Notation for Complex Peptides.
J. Chem. Inf. Model., 2022

Collaborative Assessment of Molecular Geometries and Energies from the Open Force Field.
J. Chem. Inf. Model., 2022

Protocol for iterative optimization of modified peptides bound to protein targets.
J. Comput. Aided Mol. Des., 2022



2020
Assessing the accuracy of octanol-water partition coefficient predictions in the SAMPL6 Part II log P Challenge.
J. Comput. Aided Mol. Des., 2020

2018
Peptidic Macrocycles - Conformational Sampling and Thermodynamic Characterization.
J. Chem. Inf. Model., 2018

2014
Heteroaromatic π-Stacking Energy Landscapes.
J. Chem. Inf. Model., 2014

Accuracy Assessment and Automation of Free Energy Calculations for Drug Design.
J. Chem. Inf. Model., 2014

Modellierung und Generierung von Testdaten für Datenbank-basierte Anwendungen.
Proceedings of the Informatiktage 2014: Big (Data) is beautiful, 2014

2013
Economical and Accurate Protocol for Calculating Hydrogen-Bond-Acceptor Strengths.
J. Chem. Inf. Model., 2013

2011
A GRID-Derived Water Network Stabilizes Molecular Dynamics Computer Simulations of a Protease.
J. Chem. Inf. Model., 2011

A challenging system: Free energy prediction for factor Xa.
J. Comput. Chem., 2011

2009
Bias-Correction of Regression Models: A Case Study on hERG Inhibition.
J. Chem. Inf. Model., 2009

2005
A support vector machine approach to classify human cytochrome P450 3A4 inhibitors.
J. Comput. Aided Mol. Des., 2005

2000
Computer based screening of compound databases: 1. Preselection of benzamidine-based thrombin inhibitors.
J. Comput. Aided Mol. Des., 2000

1993
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.
J. Comput. Chem., 1993


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