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40 积分 2025-05-28 加入
‘An AlphaFold 4’ — scientists marvel at DeepMind drug spin-off’s exclusive new AI
1小时前
已完结
Integrating Medicinal Chemist Expertise with Deep Learning for Automated Molecular Optimization
2个月前
已完结
Accurate Prediction of Core-Hopping Transformations Using Molecular Dynamics-Derived Conformational Ensembles: Application to the Discovery of Novel P2X3 Antagonists
2个月前
已完结
Discovery and Structural Characterization of ATP-Site Ligands for the Wild-Type and V617F Mutant JAK2 Pseudokinase Domain
4个月前
已完结
Peptide-Tools–Web Server for Calculating Physicochemical Properties of Peptides
4个月前
已完结
Machine learning in targeted protein degradation drug design: a technical review of PROTACs and molecular glues
5个月前
已完结
SiteMatcher: A Web Server for Structure-Based Drug Design Using Protein–Ligand Interaction Patterns
5个月前
已完结
Using AlphaFold and Experimental Structures for the Prediction of the Structure and Binding Affinities of GPCR Complexes via Induced Fit Docking and Free Energy Perturbation
6个月前
已完结
Water molecules in protein–ligand interfaces. Evaluation of software tools and SAR comparison
8个月前
已完结
Benchmarking AI-powered docking methods from the perspective of virtual screening
8个月前
已完结
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