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Journal of Computational Chemistry
|
March 5, 2011
A challenging system: free energy prediction for factor Xa
Hannes G Wallnoefer, Klaus R Liedl, Thomas Fox
Journal of Chemical Information and Modeling
|
October 6, 2011
A GRID-derived water network stabilizes molecular dynamics computer simulations of a protease
Hannes G Wallnoefer, Klaus R Liedl, Thomas Fox
The Journal of Physical Chemistry. B
|
May 8, 2010
Stabilizing of a globular protein by a highly complex water network: a molecular dynamics simulation study on factor Xa
Hannes G Wallnoefer, Sandra Handschuh, Klaus R Liedl, et al.
Physical Chemistry Chemical Physics : PCCP
|
October 19, 2010
Dispersion dominated halogen-π interactions: energies and locations of minima
Hannes G Wallnoefer, Thomas Fox, Klaus R Liedl, et al.
Journal of Chemical Theory and Computation
|
November 26, 2015
First Principles-Based Calculations of Free Energy of Binding: Application to Ligand Binding in a Self-Assembling Superstructure
Stephen Fox, Hannes G Wallnoefer, Thomas Fox, et al.
Journal of the American Chemical Society
|
July 13, 2010
Backbone flexibility controls the activity and specificity of a protein-protein interface: specificity in snake venom metalloproteases
Hannes G Wallnoefer, Torsten Lingott, José María Gutiérrez, et al.
Proteins
|
October 3, 2013
Specificity of a protein-protein interface: local dynamics direct substrate recognition of effector caspases
Julian E Fuchs, Susanne von Grafenstein, Roland G Huber, et al.
Plos One
|
January 10, 2013
Dynamic regulation of phenylalanine hydroxylase by simulated redox manipulation
Julian E Fuchs, Roland G Huber, Susanne von Grafenstein, et al.
Plos Computational Biology
|
May 3, 2013
Cleavage entropy as quantitative measure of protease specificity
Julian E Fuchs, Susanne von Grafenstein, Roland G Huber, et al.
The Journal of Physical Chemistry. B
|
May 9, 2013
Entropy from state probabilities: hydration entropy of cations
Roland G Huber, Julian E Fuchs, Susanne von Grafenstein, et al.
Page
of 2
Search research articles
Search
Showing results (1-10 of 12) with videos related to
Sort By:
Page
of 2
Journal of Computational Chemistry
|
March 5, 2011
A challenging system: free energy prediction for factor Xa
Hannes G Wallnoefer, Klaus R Liedl, Thomas Fox
Journal of Chemical Information and Modeling
|
October 6, 2011
A GRID-derived water network stabilizes molecular dynamics computer simulations of a protease
Hannes G Wallnoefer, Klaus R Liedl, Thomas Fox
The Journal of Physical Chemistry. B
|
May 8, 2010
Stabilizing of a globular protein by a highly complex water network: a molecular dynamics simulation study on factor Xa
Hannes G Wallnoefer, Sandra Handschuh, Klaus R Liedl, et al.
Physical Chemistry Chemical Physics : PCCP
|
October 19, 2010
Dispersion dominated halogen-π interactions: energies and locations of minima
Hannes G Wallnoefer, Thomas Fox, Klaus R Liedl, et al.
Journal of Chemical Theory and Computation
|
November 26, 2015
First Principles-Based Calculations of Free Energy of Binding: Application to Ligand Binding in a Self-Assembling Superstructure
Stephen Fox, Hannes G Wallnoefer, Thomas Fox, et al.
Journal of the American Chemical Society
|
July 13, 2010
Backbone flexibility controls the activity and specificity of a protein-protein interface: specificity in snake venom metalloproteases
Hannes G Wallnoefer, Torsten Lingott, José María Gutiérrez, et al.
Proteins
|
October 3, 2013
Specificity of a protein-protein interface: local dynamics direct substrate recognition of effector caspases
Julian E Fuchs, Susanne von Grafenstein, Roland G Huber, et al.
Plos One
|
January 10, 2013
Dynamic regulation of phenylalanine hydroxylase by simulated redox manipulation
Julian E Fuchs, Roland G Huber, Susanne von Grafenstein, et al.
Plos Computational Biology
|
May 3, 2013
Cleavage entropy as quantitative measure of protease specificity
Julian E Fuchs, Susanne von Grafenstein, Roland G Huber, et al.
The Journal of Physical Chemistry. B
|
May 9, 2013
Entropy from state probabilities: hydration entropy of cations
Roland G Huber, Julian E Fuchs, Susanne von Grafenstein, et al.
Page
of 2