A. Dickson

Adrenomedullin 2/intermedin is a slow off-rate, long-acting endogenous agonist of theadrenomedullin2 G protein-coupled receptor

The paper identifies AM2/IMD as a slow off-rate agonist for the AM2R receptor, showing prolonged cAMP signaling and defining the molecular mechanism of kinetic selectivity.

HSD3B1 is an Oxysterol 3β-Hydroxysteroid Dehydrogenase in Human Placenta

The paper identifies HSD3B1 as an enzyme in human placenta that converts oxysterols into 3-oxo-4-ene derivatives, which are found in umbilical cord and maternal plasma.

Atomic-Resolution Prediction of Degrader-mediated Ternary Complex Structures by Combining Molecular Simulations with Hydrogen Deuterium Exchange

This paper predicts atomic-resolution structures of degrader-mediated ternary complexes using combined HDX-MS and molecular dynamics simulations, validated by experimental data.

A biosensor to gauge protein homeostasis resilience differences in the nucleus compared to cytosol of mammalian cells

The paper develops a biosensor to compare protein homeostasis resilience in the nucleus and cytosol of human cells, finding the nucleus has lower chaperone activity and aggregation suppression capacity.

Perturbation of ACE2 structural ensembles by SARS-CoV-2 spike protein binding

This study uses molecular dynamics simulations and machine learning to show structural differences in ACE2 upon SARS-CoV-2 spike protein binding and predict ligand effects.

Characterization of cells susceptible to SARS-COV-2 and methods for detection of neutralizing antibody by focus forming assay

The paper characterizes SARS-CoV-2 susceptible cells and develops a focus forming assay to detect and quantify neutralizing antibodies in sera samples.

mRNA induced expression of human angiotensin-converting enzyme 2 in mice for the study of the adaptive immune response to severe acute respiratory syndrome coronavirus 2

This study uses mRNA to express human ACE2 in mice to study SARS-CoV-2 adaptive immune responses, finding enhanced T cell responses but no antibody enhancement.

Membrane-mediated ligand unbinding of the PK-11195 ligand from the translocator protein (TSPO)

This study uses molecular dynamics simulations to show PK-11195 dissociates from TSPO via the lipid membrane, not directly into solvent, with implications for designing long-residence-time ligands.

The SAMPL6 SAMPLing challenge: Assessing the reliability and efficiency of binding free energy calculations

This study evaluates binding free energy calculation methods using the SAMPL6 challenge, finding variations in efficiency and reproducibility across different systems and methods.

Chk1 Phosphorylates Cdh1 to Promote SCFβTRCP-Dependent Degradation of Cdh1 During S-Phase

This study shows Chk1 phosphorylates Cdh1 to promote its SCFβTRCP-dependent degradation during S-phase, facilitating efficient S-phase entry and cellular proliferation.

Mapping the ligand binding landscape

This study uses WExplore to map ligand binding landscapes for two bromodomain-inhibitor systems, revealing that transitions between bound states often pass through the unbound state.