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2020 – today
- 2024
[j8]Aaron D. Danilack, Callum J. Dickson, Cihan Soylu, Mike Fortunato, Stephane Rodde, Hagen Munkler
, Viktor Hornak, José S. Duca:
Reactivities of acrylamide warheads toward cysteine targets: a QM/ML approach to covalent inhibitor design. J. Comput. Aided Mol. Des. 38(1): 21 (2024)- 2023
- [j7]Ernest Awoonor-Williams, Andrei A. Golosov, Viktor Hornak:
Benchmarking In Silico Tools for Cysteine pKa Prediction. J. Chem. Inf. Model. 63(7): 2170-2180 (2023) - [j6]Ernest Awoonor-Williams, Callum J. Dickson, Pascal Furet, Andrei A. Golosov, Viktor Hornak:
Leveraging Advanced In Silico Techniques in Early Drug Discovery: A Study of Potent Small-Molecule YAP-TEAD PPI Disruptors. J. Chem. Inf. Model. 63(8): 2520-2531 (2023) - 2021
- [j5]Callum J. Dickson, Viktor Hornak, José S. Duca:
Relative Binding Free-Energy Calculations at Lipid-Exposed Sites: Deciphering Hot Spots. J. Chem. Inf. Model. 61(12): 5923-5930 (2021)
2010 – 2019
- 2019
- [j4]Callum J. Dickson, Viktor Hornak, Dallas Bednarczyk, José S. Duca:
Using Membrane Partitioning Simulations To Predict Permeability of Forty-Nine Drug-Like Molecules. J. Chem. Inf. Model. 59(1): 236-244 (2019) - 2012
- [j3]Bin Chen, Robert P. Sheridan, Viktor Hornak, Johannes H. Voigt:
Comparison of Random Forest and Pipeline Pilot Naïve Bayes in Prospective QSAR Predictions. J. Chem. Inf. Model. 52(3): 792-803 (2012)
2000 – 2009
- 2008
- [j2]Kun Song, Viktor Hornak, Carlos De Los Santos, Arthur P. Grollman, Carlos Simmerling:
Molecular mechanics parameters for the FapydG DNA lesion. J. Comput. Chem. 29(1): 17-23 (2008) - 2003
- [j1]Asim Okur, Bentley Strockbine, Viktor Hornak, Carlos Simmerling:
Using PC clusters to evaluate the transferability of molecular mechanics force fields for proteins. J. Comput. Chem. 24(1): 21-31 (2003)
Coauthor Index
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