A. Tropsha

HIV Pharmacology Data Repository (PDR): Setting the New Information Sharing Standard for Pharmacokinetic Studies

The paper introduces a standardized framework for sharing pharmacokinetic data and demonstrates its utility through computational modeling of HIV drug concentration vs. time data.

Efficient Design Of Peptide-Binding Polymers Using Active Learning Approaches

The paper evaluates active learning protocols for discovering biologically active molecules and validates their use in designing peptide-binding polymers for ASGPR.

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.

A decoy heterotrimeric Gα protein has substantially reduced nucleotide binding but retains nucleotide-independent interactions with its cognate RGS protein and Gβγ dimer

This paper shows that Arabidopsis XLG2 has reduced nucleotide binding but maintains interactions with RGS and Gβγ, suggesting it functions as a dominant negative G protein.