Latest Research in Computational Drug Discovery Methods
6 research papers · 2026 median publication year
Top Research Topics in Computational Drug Discovery Methods
- Computational Drug Discovery Methods — 2 papers
- Quantitative Methods — 1 papers
- Machine Learning in Materials Science — 1 papers
- Chemical Synthesis and Analysis — 1 papers
- Machine Learning — 1 papers
Highest-Cited Papers
- Pose Reproduction, Cross Docking, Database Enrichment, and Reverse Docking Benchmarks for DOCK6, Vina, and AutoDock 4 with Emphasis on Approved Drugs
- Assessing the Generalizability of Machine Learning and Physics-Based Methods with DNA-Encoded Libraries
- SurfSpec: Enhancing Off-Target-Agnostic Specificity by Bounding Pocket-Ligand Geometric Mismatch
- AI-enhanced adaptive virtual screening of large libraries for ligand discovery
- Similarity‐Enhanced Representation Learning of Non‐Canonical Amino Acids for Therapeutic Peptide Modeling
- Deploying DeepSeek 175B Locally on a Single Consumer-Grade RTX 4060 Laptop with 32GB RAM for 200k-Scale Protein-Ligand Virtual Screening