A. Schlessinger

Mechanisms of Cholesterol Binding to LAT1

This study investigates cholesterol binding to LAT1 using computational methods, identifying key binding sites and their stabilizing effects on LAT1 structure and function.

Structural Analysis of Genomic and Proteomic Signatures Reveal Dynamic Expression of Intrinsically Disordered Regions in Breast Cancer and Tissue

The paper introduces SAGES, a method using structural features to analyze proteomic and transcriptomic data, revealing dynamic expression of intrinsically disordered regions in breast cancer and drug perturbation relationships.

Conserved allosteric inhibition mechanism in SLC1 transporters

This study investigates the conserved allosteric inhibition mechanism of SLC1 transporters EAAT1 and ASCT2 using cryo-EM, kinetic experiments, and computational modeling, showing that UCPH-101 inhibits EAAT1 and partially inhibits ASCT2 with lower affinity.

Describing Inhibitor Specificity for the Amino Acid Transporter LAT1 from Metainference Simulations

This study uses metainference MD simulations, molecular docking, and experiments to identify critical residues and druggable pockets in LAT1, leading to the discovery of new inhibitors.

Substrate Binding and Inhibition of the Anion Exchanger 1 Transporter

The paper presents high-resolution cryo-EM structures of the full-length human AE1 transporter in various states, revealing substrate binding, inhibition mechanisms, and lipid/sterol binding sites.

Dual targeting of salt inducible kinases and CSF1R uncouples bone formation and bone resorption

The paper shows that YKL-05-099, which inhibits SIKs and CSF1R, increases bone formation without increasing bone resorption in mice.

Crowdsourced identification of multi-target kinase inhibitors for RET- and TAU- based disease: the Multi-Targeting Drug DREAM Challenge

The paper reports on a DREAM Challenge to predict multi-target kinase inhibitors for RET-based tumors and Tauopathy, using neural network-based machine learning approaches.

Structural basis for stereospecific inhibition of ASCT2 from rational design

The paper rationally designs inhibitors for ASCT2 using computational modeling and cryo-EM, showing how stereospecific pockets can be exploited for drug discovery.

Crowdsourced mapping of unexplored target space of kinase inhibitors

The paper benchmarks predictive models for kinase inhibitor potencies using crowdsourced data and identifies new compound-kinase interactions.

PyVOL: a PyMOL plugin for visualization, comparison, and volume calculation of drug-binding sites

PyVOL provides a PyMOL plugin for visualizing, characterizing, and comparing drug-binding sites with automated volume calculations to reduce user variability and improve efficiency.