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Journal of Computer-Aided Molecular Design
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August 18, 2020
ReSCoSS: a flexible quantum chemistry workflow identifying relevant solution conformers of drug-like molecules
Anikó Udvarhelyi, Stephane Rodde, Rainer Wilcken
European Journal of Medicinal Chemistry
|
September 24, 2025
Ring systems in medicinal chemistry: A cheminformatics analysis of ring popularity in drug discovery over time
Peter Ertl, Eva Altmann, Rainer Wilcken
Structure (London, England : 1993)
|
September 5, 2014
Tracing the evolution of the p53 tetramerization domain
Andreas C Joerger, Rainer Wilcken, Antonina Andreeva
Journal of Chemical Information and Modeling
|
November 7, 2019
Benchmarking Different QM Levels for Usage with COSMO-RS
Jens Reinisch, Michael Diedenhofen, Rainer Wilcken, et al.
Proceedings of the National Academy of Sciences of the United States of America
|
August 8, 2012
Kinetic mechanism of p53 oncogenic mutant aggregation and its inhibition
Rainer Wilcken, GuoZhen Wang, Frank M Boeckler, et al.
Journal of Computer-Aided Molecular Design
|
August 25, 2018
High accuracy quantum-chemistry-based calculation and blind prediction of macroscopic pKa values in the context of the SAMPL6 challenge
Philipp Pracht, Rainer Wilcken, Anikó Udvarhelyi, et al.
Journal of Chemical Information and Modeling
|
October 17, 2013
Targeting histidine side chains in molecular design through nitrogen-halogen bonds
Andreas Lange, Markus O Zimmermann, Rainer Wilcken, et al.
Journal of Computer-Aided Molecular Design
|
August 7, 2012
Using halogen bonds to address the protein backbone: a systematic evaluation
Rainer Wilcken, Markus O Zimmermann, Andreas Lange, et al.
Journal of Medicinal Chemistry
|
November 14, 2012
Principles and applications of halogen bonding in medicinal chemistry and chemical biology
Rainer Wilcken, Markus O Zimmermann, Andreas Lange, et al.
Journal of Chemical Theory and Computation
|
November 26, 2015
Addressing Methionine in Molecular Design through Directed Sulfur-Halogen Bonds
Rainer Wilcken, Markus O Zimmermann, Andreas Lange, et al.
Page
of 4
Search research articles
Search
Showing results (1-10 of 32) with videos related to
Sort By:
Page
of 4
Journal of Computer-Aided Molecular Design
|
August 18, 2020
ReSCoSS: a flexible quantum chemistry workflow identifying relevant solution conformers of drug-like molecules
Anikó Udvarhelyi, Stephane Rodde, Rainer Wilcken
European Journal of Medicinal Chemistry
|
September 24, 2025
Ring systems in medicinal chemistry: A cheminformatics analysis of ring popularity in drug discovery over time
Peter Ertl, Eva Altmann, Rainer Wilcken
Structure (London, England : 1993)
|
September 5, 2014
Tracing the evolution of the p53 tetramerization domain
Andreas C Joerger, Rainer Wilcken, Antonina Andreeva
Journal of Chemical Information and Modeling
|
November 7, 2019
Benchmarking Different QM Levels for Usage with COSMO-RS
Jens Reinisch, Michael Diedenhofen, Rainer Wilcken, et al.
Proceedings of the National Academy of Sciences of the United States of America
|
August 8, 2012
Kinetic mechanism of p53 oncogenic mutant aggregation and its inhibition
Rainer Wilcken, GuoZhen Wang, Frank M Boeckler, et al.
Journal of Computer-Aided Molecular Design
|
August 25, 2018
High accuracy quantum-chemistry-based calculation and blind prediction of macroscopic pKa values in the context of the SAMPL6 challenge
Philipp Pracht, Rainer Wilcken, Anikó Udvarhelyi, et al.
Journal of Chemical Information and Modeling
|
October 17, 2013
Targeting histidine side chains in molecular design through nitrogen-halogen bonds
Andreas Lange, Markus O Zimmermann, Rainer Wilcken, et al.
Journal of Computer-Aided Molecular Design
|
August 7, 2012
Using halogen bonds to address the protein backbone: a systematic evaluation
Rainer Wilcken, Markus O Zimmermann, Andreas Lange, et al.
Journal of Medicinal Chemistry
|
November 14, 2012
Principles and applications of halogen bonding in medicinal chemistry and chemical biology
Rainer Wilcken, Markus O Zimmermann, Andreas Lange, et al.
Journal of Chemical Theory and Computation
|
November 26, 2015
Addressing Methionine in Molecular Design through Directed Sulfur-Halogen Bonds
Rainer Wilcken, Markus O Zimmermann, Andreas Lange, et al.
Page
of 4