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Stefan Güssregen

◀ ▶ joint publications with K. Friedemann Schmidt

> Home > Persons > Stefan Güssregen

Publications

2021
[j14]
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  dblp key:
  - journals/jcamd/TielkerEHSGK21
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  - https://dblp.org/rec/journals/jcamd/TielkerEHSGK21
Nicolas Tielker, Lukas Eberlein, Gerhard Hessler, K. Friedemann Schmidt, Stefan Güssregen, Stefan M. Kast:
Quantum-mechanical property prediction of solvated drug molecules: what have we learned from a decade of SAMPL blind prediction challenges? J. Comput. Aided Mol. Des. 35(4): 453-472 (2021)
2016
[j8]
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  - journals/jcamd/TielkerTHKEGSK16
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  - https://dblp.org/rec/journals/jcamd/TielkerTHKEGSK16
Nicolas Tielker, Daniel Tomazic, Jochen Heil, Thomas Kloss, Sebastian Ehrhart, Stefan Güssregen, K. Friedemann Schmidt, Stefan M. Kast:
The SAMPL5 challenge for embedded-cluster integral equation theory: solvation free energies, aqueous pK _a, and cyclohexane-water log D. J. Comput. Aided Mol. Des. 30(11): 1035-1044 (2016)
2012
[j4]
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  - journals/jcisd/GussregenMHMSC12
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  - https://dblp.org/rec/journals/jcisd/GussregenMHMSC12
Stefan Güssregen, Hans Matter, Gerhard Hessler, Marco Müller, K. Friedemann Schmidt, Timothy Clark:
3D-QSAR Based on Quantum-Chemical Molecular Fields: Toward an Improved Description of Halogen Interactions. J. Chem. Inf. Model. 52(9): 2441-2453 (2012)
2010
[j3]
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  - journals/jcamd/KastHGS10
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Stefan M. Kast, Jochen Heil, Stefan Güssregen, K. Friedemann Schmidt:
Prediction of tautomer ratios by embedded-cluster integral equation theory. J. Comput. Aided Mol. Des. 24(4): 343-353 (2010)
[j2]
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  - journals/jcamd/KastHGS10a
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  - https://dblp.org/rec/journals/jcamd/KastHGS10a
Stefan M. Kast, Jochen Heil, Stefan Güssregen, K. Friedemann Schmidt:
Erratum to: Prediction of tautomer ratios by embedded-cluster integral equation theory. J. Comput. Aided Mol. Des. 24(4): 355 (2010)

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