R. Dror

How accurately can one predict drug binding modes using AlphaFold models?

This study evaluates how well AlphaFold 2 models predict drug binding modes to G protein-coupled receptors, finding improved pocket structure accuracy but limited ligand pose prediction improvements over traditional models.

Modulation of cannabinoid receptor signaling by endocannabinoids

This study investigates how endocannabinoids modulate CB1 receptor signaling by comparing their activation of Gi1 with synthetic cannabinoids and revealing structural differences in ligand binding.

Fragment-Based Ligand Generation Guided By Geometric Deep Learning On Protein-Ligand Structure

The paper develops a method to expand small fragment-like molecules bound to protein pockets into larger drug-like molecules using geometric deep learning.

Protozoa populations are ecosystem engineers that shape prokaryotic community structure and function of the rumen microbial ecosystem

This study shows that protozoa in the rumen significantly influence prokaryotic community structure and function, including methane production and diversity.

Structure of human ferroportin bound to hepcidin reveals mechanisms of iron homeostasis

This study determines the cryo-EM structures of human ferroportin bound to hepcidin and identifies mechanisms of iron homeostasis regulation.

Uncovering patterns of atomic interactions in static and dynamic structures of proteins

The paper develops tools for analyzing interatomic interactions in protein structures and simulations, creating a web resource to identify functional interaction patterns in GPCRs, G proteins, kinases, and muscarinic receptors.

Stable networks of water-mediated interactions are conserved in activation of diverse GPCRs

The paper identifies conserved water-mediated interaction networks in GPCR activation across diverse receptors, with implications for drug design.