Kirill A. Konovalov

Transition Intermediates Encode Ligand Efficacy at the μ-Opioid Receptor-Gi Protein Complex

The paper uses computational and experimental methods to identify transition intermediates in the μ-opioid receptor-Gi protein complex that encode ligand efficacy.

Structural and dynamic studies uncover a distinct allosteric modulatory site at the mu-opioid receptor

This study identifies a novel allosteric site on the mu-opioid receptor using cryo-EM and MD simulations, revealing a lipid-sensitive mechanism for positive allosteric modulation.

BOLD-GPCRs: A Transformer-Powered App for Predicting Ligand Bioactivity and Mutational Effects Across Class A GPCRs

BOLD-GPCRs predicts ligand bioactivity and mutational effects for class A GPCRs using a transformer-based deep learning framework, achieving robust performance across understudied receptors.

Structural basis for saxitoxin congener binding and neutralization by anuran saxiphilins

This paper identifies the structural basis for saxitoxin congener binding and neutralization by saxiphilins, showing how these proteins sequester toxins and reverse sodium channel blockage.

Convergent adaptation in mitochondria of phylogenetically distant birds: does it exist?

The paper investigates whether convergent evolution occurs in mitochondrial genomes of birds under similar environmental pressures and finds most convergence events are likely random.