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Journal of Chemical Theory and Computation
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November 19, 2015
Independent Metrics for Protein Backbone and Side-Chain Flexibility: Time Scales and Effects of Ligand Binding
Julian E Fuchs, Birgit J Waldner, Roland G Huber, et al.
Journal of Chemical Information and Modeling
|
December 25, 2008
Sharpening the toolbox of computational chemistry: a new approximation of critical f-values for multiple linear regression
Christian Kramer, Christofer S Tautermann, David J Livingstone, et al.
ACS Medicinal Chemistry Letters
|
July 19, 2023
Discovery of a Series of Indane-Containing NBTIs with Activity against Multidrug-Resistant Gram-Negative Pathogens
John G Cumming, Lukas Kreis, Holger Kühne, et al.
The Journal of Physical Chemistry. B
|
December 29, 2015
Quantitative Correlation of Conformational Binding Enthalpy with Substrate Specificity of Serine Proteases
Birgit J Waldner, Julian E Fuchs, Roland G Huber, et al.
Plos One
|
October 27, 2015
Dynamics Govern Specificity of a Protein-Protein Interface: Substrate Recognition by Thrombin
Julian E Fuchs, Roland G Huber, Birgit J Waldner, et al.
Angewandte Chemie (International Ed. in English)
|
September 29, 2007
Potent inhibitors of tRNA-guanine transglycosylase, an enzyme linked to the pathogenicity of the Shigella bacterium: charge-assisted hydrogen bonding
Simone R Hörtner, Tina Ritschel, Bernhard Stengl, et al.
Journal of Chemical Information and Modeling
|
January 13, 2017
Binding Pose Flip Explained via Enthalpic and Entropic Contributions
Michael Schauperl, Paul Czodrowski, Julian E Fuchs, et al.
Journal of Computer-Aided Molecular Design
|
September 24, 2022
A high quality, industrial data set for binding affinity prediction: performance comparison in different early drug discovery scenarios
Andreas Tosstorff, Markus G Rudolph, Jason C Cole, et al.
Science (New York, N.Y.)
|
August 13, 2011
Coherent two-dimensional nanoscopy
Martin Aeschlimann, Tobias Brixner, Alexander Fischer, et al.
Journal of Medicinal Chemistry
|
July 14, 2025
Machine Learning-Assisted Iterative Screening for Efficient Detection of Drug Discovery Starting Points
Alex T Müller, Markus Hierl, Dominik Heer, et al.
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of 7
Search research articles
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Showing results (41-50 of 61) with videos related to
Sort By:
Page
of 7
Journal of Chemical Theory and Computation
|
November 19, 2015
Independent Metrics for Protein Backbone and Side-Chain Flexibility: Time Scales and Effects of Ligand Binding
Julian E Fuchs, Birgit J Waldner, Roland G Huber, et al.
Journal of Chemical Information and Modeling
|
December 25, 2008
Sharpening the toolbox of computational chemistry: a new approximation of critical f-values for multiple linear regression
Christian Kramer, Christofer S Tautermann, David J Livingstone, et al.
ACS Medicinal Chemistry Letters
|
July 19, 2023
Discovery of a Series of Indane-Containing NBTIs with Activity against Multidrug-Resistant Gram-Negative Pathogens
John G Cumming, Lukas Kreis, Holger Kühne, et al.
The Journal of Physical Chemistry. B
|
December 29, 2015
Quantitative Correlation of Conformational Binding Enthalpy with Substrate Specificity of Serine Proteases
Birgit J Waldner, Julian E Fuchs, Roland G Huber, et al.
Plos One
|
October 27, 2015
Dynamics Govern Specificity of a Protein-Protein Interface: Substrate Recognition by Thrombin
Julian E Fuchs, Roland G Huber, Birgit J Waldner, et al.
Angewandte Chemie (International Ed. in English)
|
September 29, 2007
Potent inhibitors of tRNA-guanine transglycosylase, an enzyme linked to the pathogenicity of the Shigella bacterium: charge-assisted hydrogen bonding
Simone R Hörtner, Tina Ritschel, Bernhard Stengl, et al.
Journal of Chemical Information and Modeling
|
January 13, 2017
Binding Pose Flip Explained via Enthalpic and Entropic Contributions
Michael Schauperl, Paul Czodrowski, Julian E Fuchs, et al.
Journal of Computer-Aided Molecular Design
|
September 24, 2022
A high quality, industrial data set for binding affinity prediction: performance comparison in different early drug discovery scenarios
Andreas Tosstorff, Markus G Rudolph, Jason C Cole, et al.
Science (New York, N.Y.)
|
August 13, 2011
Coherent two-dimensional nanoscopy
Martin Aeschlimann, Tobias Brixner, Alexander Fischer, et al.
Journal of Medicinal Chemistry
|
July 14, 2025
Machine Learning-Assisted Iterative Screening for Efficient Detection of Drug Discovery Starting Points
Alex T Müller, Markus Hierl, Dominik Heer, et al.
Page
of 7