Latest Research in Structural Docking Benchmarking Frameworks

Top Research Topics in Structural Docking Benchmarking Frameworks

• Computational Drug Discovery Methods — 6 papers
• Genomics and Rare Diseases — 2 papers
• Mathematical Biology Tumor Growth — 1 papers
• Fungal and yeast genetics research — 1 papers
• Quantitative Methods — 1 papers
• Artificial Intelligence — 1 papers
• Machine Learning in Materials Science — 1 papers
• Chemical Synthesis and Analysis — 1 papers
• Medical Imaging Techniques and Applications — 1 papers
• Machine Learning — 1 papers

Highest-Cited Papers

1. Organelle partitioning in the multi-budding yeast Aureobasidium pullulans (1 citations)
2. The Benchmark Number Is Not the Deployment Number: Rank Collapse and Base-Rate Collapse, Measured Across Four Domains
3. DockM8: an all-in-one open-source platform for consensus virtual screening in drug design
4. Pose Reproduction, Cross Docking, Database Enrichment, and Reverse Docking Benchmarks for DOCK6, Vina, and AutoDock 4 with Emphasis on Approved Drugs
5. Assessing the Generalizability of Machine Learning and Physics-Based Methods with DNA-Encoded Libraries
6. Genolator enables protein function interpretation using a multimodal large language model fusing genomic and structural interpretation with natural language interaction
7. R-package agentBayes: Likelihood-based statistical methods for agent-based models
8. Prediction of Drug Resistance Mechanisms: Integration of Molecular Modeling and Artificial Intelligence Methods
9. Data driven selection of consensus docking pipelines for structure based hit identification
10. SurfSpec: Enhancing Off-Target-Agnostic Specificity by Bounding Pocket-Ligand Geometric Mismatch
11. FLaG: Frequency-Domain Latent-attention Gated Pooling for Token Aggregation
12. AI-enhanced adaptive virtual screening of large libraries for ligand discovery
13. Similarity‐Enhanced Representation Learning of Non‐Canonical Amino Acids for Therapeutic Peptide Modeling
14. Current status and prospects of molecular docking in PET probe development
15. Deploying DeepSeek 175B Locally on a Single Consumer-Grade RTX 4060 Laptop with 32GB RAM for 200k-Scale Protein-Ligand Virtual Screening
16. Evaluating molecular docking for binding affinity predictions: a systematic analysis of key parameters and the utility of AlphaFold2 structures for the Schrödinger dataset
17. Revealing Alkali Ion Modulation on the Nucleation Phase of Highly Concentrated α-Synuclein Probed by Thioflavin T Lasing Spectroscopy

Sub-Regions

• DNA Repair Mechanisms — 19 papers
• Computational Drug Discovery Methods — 6 papers
• Genomics and Rare Diseases — 6 papers
• Melanoma and MAPK Pathways — 4 papers
• Advanced Fluorescence Microscopy Techniques — 2 papers
• Cell Image Analysis Techniques — 1 papers