Showing results (1-10 of 5,120) with videos related to
Sort By:
Pageof 512
Journal of Cheminformatics|May 21, 2026
Sequence-based drug-target binding site pre-training enables cryptic pocket detection and improves binding affinity and kinetics predictionShuo Zhang, Li Xie, Daniel Tiourine, et al.Biorxiv : the Preprint Server for Biology|June 4, 2026
Sequence-based Drug-Target Binding Site Pre-training Enables Cryptic Pocket Detection and Improves Binding Affinity and Kinetics PredictionShuo Zhang, Li Xie, Daniel Tiourine, et al.Nature Machine Intelligence|January 15, 2026
Multimodal out-of-distribution individual uncertainty quantification enhances binding affinity prediction for polypharmacologyAmitesh Badkul, Li Xie, Shuo Zhang, et al.Biorxiv : the Preprint Server for Biology|March 10, 2025
MolGene-E: Inverse Molecular Design to Modulate Single Cell TranscriptomicsRahul Ohlan, Raswanth Murugan, Li Xie, et al.IJCAI : Proceedings of the Conference|August 13, 2020
Improving Attention Mechanism in Graph Neural Networks via Cardinality PreservationShuo Zhang, Lei XieScientific Reports|November 6, 2023
A universal framework for accurate and efficient geometric deep learning of molecular systemsShuo Zhang, Yang Liu, Lei XiePlos Computational Biology|August 17, 2023
Elucidation of genome-wide understudied proteins targeted by PROTAC-induced degradation using interpretable machine learningLi Xie, Lei XieBiorxiv : the Preprint Server for Biology|March 3, 2023
Elucidation of Genome-wide Understudied Proteins targeted by PROTAC-induced degradation using Interpretable Machine LearningLi Xie, Lei XieInternational Journal of Molecular Sciences|July 20, 2019
Pathway-Centric Structure-Based Multi-Target Compound Screening for Anti-Virulence Drug RepurposingLi Xie, Lei XieFrontiers in Genetics|February 18, 2020
Heterogeneous Multi-Layered Network Model for Omics Data Integration and AnalysisBohyun Lee, Shuo Zhang, Aleksandar Poleksic, et al.Pageof 512