Lv6
1680 积分 2023-09-05 加入
MolGuidance: Advanced Guidance Strategies for Conditional Molecular Generation with Flow Matching
4天前
已完结
Molecular Fragment-Based Graph Isomorphism Networks for Interpretable Prediction of Synergistic Drug Combinations
4天前
已完结
Systematic Evaluation of Graph Neural Networks for Ligand-Based Virtual Screening on ChEMBL Datasets
4天前
已完结
Identification of a peptide inhibitor disrupting the PCSK9-LDLR interaction via pharmacophore-based virtual screening, molecular dynamics simulations and in vitro/vivo evaluation
4天前
已完结
Predicting Protein Thermostability with Equivariant Graph Neural Networks and Contrastive Learning
4天前
已完结
Understanding the Kinetic Mechanism of Ligands Stabilizing the RAS–CYPA Interaction
4天前
已完结
CHARMM36m: an improved force field for folded and intrinsically disordered proteins
2个月前
已完结
BPS2026 – Computational design of protein mini-binders and macrocycles targeting CaV1.2 channels
2个月前
已完结
CoAff-DTI: Fine-grained drug–target interaction prediction using pre-trained language models and affinity-guided mechanisms
2个月前
已完结
MPMFMol: Multitask Self-Supervised Pretraining with Multimodal Fine-Tuning for Molecular Property Prediction
3个月前
已完结
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