Drug target ranking for glioblastoma multiforme.
MSA-Regularized Protein Sequence Transformer toward Predicting Genome-Wide Chemical-Protein Interactions: Application to GPCRome Deorphanization.
FRAGSITE: A Fragment-Based Approach for Virtual Ligand Screening.
Resources and computational strategies to advance small molecule SARS-CoV-2 discovery: lessons from the pandemic and preparing for future health crises.
Drug repurposing for cancer treatment through global propagation with a greedy algorithm in a multilayer network.
An integrative drug repositioning framework discovered a potential therapeutic agent targeting COVID-19.
PaccMann(RL): De novo generation of hit-like anticancer molecules from transcriptomic data via reinforcement learning.
Deep Learning in Virtual Screening: Recent Applications and Developments.
Application of systems biology-based in silico tools to optimize treatment strategy identification in Still's disease.
Development of a Pediatric Relative Bioavailability/Bioequivalence Database and Identification of Putative Risk Factors Associated With Evaluation of Pediatric Oral Products.