A comparison of successful and failed protein interface designs highlights the challenges of designing buried hydrogen bonds
PB Stranges, B Kuhlman - Protein Science, 2013 - Wiley Online Library
The accurate design of new protein–protein interactions is a longstanding goal of
computational protein design. However, most computationally designed interfaces fail to …
computational protein design. However, most computationally designed interfaces fail to …
Community-wide assessment of protein-interface modeling suggests improvements to design methodology
The CAPRI (Critical Assessment of Predicted Interactions) and CASP (Critical Assessment of
protein Structure Prediction) experiments have demonstrated the power of community-wide …
protein Structure Prediction) experiments have demonstrated the power of community-wide …
Hydrogen bonds and salt bridges across protein-protein interfaces.
To understand further, and to utilize, the interactions across protein-protein interfaces, we
carried out an analysis of the hydrogen bonds and of the salt bridges in a collection of 319 …
carried out an analysis of the hydrogen bonds and of the salt bridges in a collection of 319 …
Computational design of affinity and specificity at protein–protein interfaces
J Karanicolas, B Kuhlman - Current opinion in structural biology, 2009 - Elsevier
The computer-based design of protein–protein interactions is a rigorous test of our
understanding of molecular recognition and an attractive approach for creating novel tools …
understanding of molecular recognition and an attractive approach for creating novel tools …
Structural space of protein–protein interfaces is degenerate, close to complete, and highly connected
M Gao, J Skolnick - … of the National Academy of Sciences, 2010 - National Acad Sciences
At the heart of protein–protein interactions are protein–protein interfaces where the direct
physical interactions occur. By developing and applying an efficient structural alignment …
physical interactions occur. By developing and applying an efficient structural alignment …
Protein–ligand interfaces are polarized: discovery of a strong trend for intermolecular hydrogen bonds to favor donors on the protein side with implications for …
S Raschka, AJ Wolf, J Bemister-Buffington… - Journal of computer …, 2018 - Springer
Understanding how proteins encode ligand specificity is fascinating and similar in
importance to deciphering the genetic code. For protein–ligand recognition, the combination …
importance to deciphering the genetic code. For protein–ligand recognition, the combination …
Shape complementarity and hydrogen bond preferences in protein–protein interfaces: implications for antibody modeling and protein–protein docking
Motivations: Characterizing protein–protein interfaces and the hydrogen bonds is a first step
to better understand proteins' structures and functions toward high-resolution protein design …
to better understand proteins' structures and functions toward high-resolution protein design …
[HTML][HTML] Anchored design of protein-protein interfaces
SM Lewis, BA Kuhlman - PloS one, 2011 - journals.plos.org
Background Few existing protein-protein interface design methods allow for extensive
backbone rearrangements during the design process. There is also a dichotomy between …
backbone rearrangements during the design process. There is also a dichotomy between …
Computational design of a symmetric homodimer using β-strand assembly
PB Stranges, M Machius, MJ Miley… - Proceedings of the …, 2011 - National Acad Sciences
Computational design of novel protein–protein interfaces is a test of our understanding of
protein interactions and has the potential to allow modification of cellular physiology …
protein interactions and has the potential to allow modification of cellular physiology …
A dissection of specific and non-specific protein–protein interfaces
We compare the geometric and physical–chemical properties of interfaces involved in
specific and non-specific protein–protein interactions in crystal structures reported in the …
specific and non-specific protein–protein interactions in crystal structures reported in the …