Unraveling structure and function relationships in synthetic cell receptors
Northwestern University researchers have identified structural features in engineered cell receptors that correlate with ...
Frontiers20d
Machine learning approaches for predicting protein-ligand binding sites from sequence data
as well as tools like AlphaFold that are employed for protein folding predictions. Each topic highlights critical aspects of the methodologies and their contributions to improving protein-ligand ...
C&EN28d
Ligand-Conditioned Side Chain Packing for Flexible Molecular Docking
State Key Laboratory of Physical Chemistry of Solid Surfaces and Fujian Provincial Key Laboratory of Theoretical and Computational Chemistry, College of Chemistry and Chemical Engineering, Xiamen ...
Phys.org1mon
Toward video generative models of the molecular world
Models like AlphaFold can predict molecular structures to accelerate drug discovery, and the MIT-assisted "RFdiffusion," for example, can help design new proteins. One challenge, though ...
C&EN1mon
Ligand-Enabled “Two-in-One” Metallaphotocatalytic Cross Couplings
Article Views are the COUNTER-compliant sum of full text article downloads since November 2008 (both PDF and HTML) across all institutions and individuals. These metrics are regularly updated to ...
eLife2mon
The co-receptor Tetraspanin12 directly captures Norrin to promote ligand-specific β-catenin signaling
This adds credence to the AlphaFold models. • Table S1 is a further testament ... as we have shown with Fzd4 and LRP6 in the absence of ligand (Bruguera et al., 2022)) so we do not mean to claim that ...
eLife1y
Reliable protein-protein docking with AlphaFold, Rosetta, and replica-exchange
Distribution of the RMSD between the AlphaFold-multimer prediction top-ranked model and the experimental unbound and bound structures. For each target, the protein partners are split into receptor and ...
Frontiers2y
NeuralDock: Rapid and Conformation-Agnostic Docking of Small Molecules
Both virtual screening approaches, structure-based molecular docking and ligand-based cheminformatics, suffer from computational cost, low accuracy, and/or reliance on prior knowledge of a ligand that ...