Machine learning for evolutionary-based and physics-inspired protein design: Current and future synergies
Computational protein design facilitates the discovery of novel proteins with prescribed
structure and functionality. Exciting designs were recently reported using novel data-driven …
structure and functionality. Exciting designs were recently reported using novel data-driven …
De novo protein design by inversion of the AlphaFold structure prediction network
De novo protein design enhances our understanding of the principles that govern protein
folding and interactions, and has the potential to revolutionize biotechnology through the …
folding and interactions, and has the potential to revolutionize biotechnology through the …
Rational design of small‐molecule responsive protein switches
Small‐molecule responsive protein switches are powerful tools for controlling cellular
processes. These switches are designed to respond rapidly and specifically to their inducer …
processes. These switches are designed to respond rapidly and specifically to their inducer …
EvoBind: in silico directed evolution of peptide binders with AlphaFold
Currently, there is no accurate method to computationally design peptide binders towards a
specific protein interface using only a target structure. Experimental methods such as phage …
specific protein interface using only a target structure. Experimental methods such as phage …
Structure-based drug discovery with deep learning
Artificial intelligence (AI) in the form of deep learning bears promise for drug discovery and
chemical biology, $\textit {eg} $, to predict protein structure and molecular bioactivity, plan …
chemical biology, $\textit {eg} $, to predict protein structure and molecular bioactivity, plan …
Targeting protein–ligand neosurfaces with a generalizable deep learning tool
Molecular recognition events between proteins drive biological processes in living systems.
However, higher levels of mechanistic regulation have emerged, in which protein–protein …
However, higher levels of mechanistic regulation have emerged, in which protein–protein …
Predictive profiling of SARS-CoV-2 variants by deep mutational learning
The continual evolution of the severe acute respiratory syndrome coronavirus-2 (SARS-CoV-
2) and the emergence of variants that show resistance to vaccines and neutralizing …
2) and the emergence of variants that show resistance to vaccines and neutralizing …