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56 积分 2025-08-04 加入
Discovery, Optimization, and Evaluation of Quinazolinone Derivatives with Novel Linkers as Orally Efficacious Phosphoinositide-3-Kinase Delta Inhibitors for Treatment of Inflammatory Diseases
20小时前
待确认
Active learning framework leveraging transcriptomics identifies modulators of disease phenotypes
2天前
已完结
Relative BAT: An Automated Tool for Relative Binding Free Energy Calculations by the Separated Topologies Approach
12天前
已完结
Learning Binding Affinities via Fine-Tuning of Protein and Ligand Language Models
26天前
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
1个月前
已完结
Modeling protein–ligand interactions for drug discovery in the era of deep learning
1个月前
已完结
StaPep: An Open-Source Toolkit for Structure Prediction, Feature Extraction, and Rational Design of Hydrocarbon-Stapled Peptides
1个月前
已完结
Targeting the ATG5-ATG16L1 Protein–Protein Interaction with a Hydrocarbon-Stapled Peptide Derived from ATG16L1 for Autophagy Inhibition
2个月前
已完结
On the Frustration to Predict Binding Affinities from Protein–Ligand Structures with Deep Neural Networks
2个月前
已完结
Structure-Based Discovery of the SARS-CoV-2 Main Protease Noncovalent Inhibitors from Traditional Chinese Medicine
2个月前
已完结
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