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2020 – today
- 2023
[j16]Rodrigo Ochoa
, J. B. Brown, Thomas Fox:
pyPept: a python library to generate atomistic 2D and 3D representations of peptides. J. Cheminformatics 15(1): 79 (2023)- 2022
- [j15]Rodrigo Ochoa, Pilar Cossio, Thomas Fox:
Protocol for iterative optimization of modified peptides bound to protein targets. J. Comput. Aided Mol. Des. 36(11): 825-835 (2022) - [j14]Thomas Fox, Michael Bieler, Peter Haebel, Rodrigo Ochoa, Stefan Peters, Alexander Weber:
BILN: A Human-Readable Line Notation for Complex Peptides. J. Chem. Inf. Model. 62(17): 3942-3947 (2022) - [j13]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, Arjun Narayanan, Christina E. M. Schindler, William C. Swope, Pieter J. in 't Veld, Jeffrey Wagner, Bai Xue, Gary Tresadern:
Collaborative Assessment of Molecular Geometries and Energies from the Open Force Field. J. Chem. Inf. Model. 62(23): 6094-6104 (2022) - [j12]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, Andrew Davies, Rajiv V. Joshi, Shawn D. Chambers, Scott Lekuch, Ken Inoue, Dorothy Wisnieff, Christian W. Baks, Donald S. Bethune, John Timmerwilke, Thomas Fox, Peilin Song, Blake R. Johnson, Brian P. Gaucher, Daniel J. Friedman:
A Cryo-CMOS Low-Power Semi-Autonomous Transmon Qubit State Controller in 14-nm FinFET Technology. IEEE J. Solid State Circuits 57(11): 3258-3273 (2022) - [c3]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, Daniel Ramirez, Dereje Yilma, Andrew Davies, Rajiv V. Joshi, Devin Underwood, Dorothy Wisnieff, Christian W. Baks, Donald Bethune, John Timmerwilke, Blake R. Johnson, Brian P. Gaucher, Daniel J. Friedman:
A Cryo-CMOS Transmon Qubit Controller and Verification with FPGA Emulation. DATE 2022: 13-16 - [c2]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, Andrew Davies, Rajiv V. Joshi, Shawn D. Chambers, Scott Lekuch, Ken Inoue, Devin Underwood, Dorothy Wisnieff, Christian W. Baks, Donald Bethune, John Timmerwilke, Blake R. Johnson, Brian P. Gaucher, Daniel J. Friedman:
A Cryo-CMOS Low-Power Semi-Autonomous Qubit State Controller in 14nm FinFET Technology. ISSCC 2022: 360-362 - 2020
- [j11]Mehtap Isik, Teresa Danielle Bergazin, Thomas Fox, Andrea Rizzi, John D. Chodera, David L. Mobley:
Assessing the accuracy of octanol-water partition coefficient predictions in the SAMPL6 Part II log P Challenge. J. Comput. Aided Mol. Des. 34(4): 335-370 (2020)
2010 – 2019
- 2018
- [j10]Anna S. Kamenik, Uta F. Lessel, Julian E. Fuchs, Thomas Fox, Klaus R. Liedl:
Peptidic Macrocycles - Conformational Sampling and Thermodynamic Characterization. J. Chem. Inf. Model. 58(5): 982-992 (2018) - 2014
- [j9]Clara D. Christ, Thomas Fox:
Accuracy Assessment and Automation of Free Energy Calculations for Drug Design. J. Chem. Inf. Model. 54(1): 108-120 (2014) - [j8]Roland G. Huber, Michael A. Margreiter, Julian E. Fuchs, Susanne von Grafenstein, Christofer S. Tautermann, Klaus R. Liedl, Thomas Fox:
Heteroaromatic π-Stacking Energy Landscapes. J. Chem. Inf. Model. 54(5): 1371-1379 (2014) - [c1]Nikolaus Moll, Christian Baranowski, Thomas Fox, Jürgen Wäsch:
Modellierung und Generierung von Testdaten für Datenbank-basierte Anwendungen. Informatiktage 2014: 151-154 - 2013
- [j7]Ahmed M. El Kerdawy, Christofer S. Tautermann, Timothy Clark, Thomas Fox:
Economical and Accurate Protocol for Calculating Hydrogen-Bond-Acceptor Strengths. J. Chem. Inf. Model. 53(12): 3262-3272 (2013) - 2011
- [j6]Hannes G. Wallnoefer, Klaus R. Liedl, Thomas Fox:
A challenging system: Free energy prediction for factor Xa. J. Comput. Chem. 32(8): 1743-1752 (2011) - [j5]Hannes G. Wallnoefer, Klaus R. Liedl, Thomas Fox:
A GRID-Derived Water Network Stabilizes Molecular Dynamics Computer Simulations of a Protease. J. Chem. Inf. Model. 51(11): 2860-2867 (2011)
2000 – 2009
- 2009
- [j4]Katja Hansen, Fabian Rathke, Timon Schroeter, Georg Rast, Thomas Fox, Jan M. Kriegl, Sebastian Mika:
Bias-Correction of Regression Models: A Case Study on hERG Inhibition. J. Chem. Inf. Model. 49(6): 1486-1496 (2009) - 2005
- [j3]Jan M. Kriegl, Thomas Arnhold, Bernd Beck, Thomas Fox:
A support vector machine approach to classify human cytochrome P450 3A4 inhibitors. J. Comput. Aided Mol. Des. 19(3): 189-201 (2005) - 2000
- [j2]Thomas Fox, Eric E. J. Haaksma:
Computer based screening of compound databases: 1. Preselection of benzamidine-based thrombin inhibitors. J. Comput. Aided Mol. Des. 14(5): 411-425 (2000)
1990 – 1999
- 1993
- [j1]Thomas Fox, Notker Rösch, Randy J. Zauhar:
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. 14(3): 253-262 (1993)
Coauthor Index
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