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30 积分 2024-02-22 加入
Updated patent review for Hematopoietic progenitor kinase (HPK1) inhibitors and degraders (2021-present)
1天前
已完结
ResGen is a pocket-aware 3D molecular generation model based on parallel multiscale modelling
3个月前
已完结
Current strategies for targeting HPK1 in cancer and the barriers to preclinical progress
4个月前
已完结
LS-MolGen: Ligand-and-Structure Dual-Driven Deep Reinforcement Learning for Target-Specific Molecular Generation Improves Binding Affinity and Novelty
7个月前
已完结
Uncovering the Selectivity Mechanism of Phosphodiesterase 7A/8A Inhibitors through Computational Studies
7个月前
已完结
Rational design of selective HDAC2 inhibitors for liver cancer treatment: computational insights into the selectivity mechanism through molecular dynamics simulations and QM/MM calculations
8个月前
已完结
Understanding the Impact of the P-loop Conformation on Kinase Selectivity
8个月前
已关闭
A workflow for exploring ligand dissociation from a macromolecule: Efficient random acceleration molecular dynamics simulation and interaction fingerprint analysis of ligand trajectories
8个月前
已关闭
Theoretical study on the activity and selectivity of IDO / TDO inhibitors
8个月前
已完结
Discovery of hematopoietic progenitor kinase 1 inhibitors using machine learning-based screening and free energy perturbation
8个月前
已完结
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