Latest Research in Computational Drug Discovery Methods
10 research papers · 2026 median publication year
Top Research Topics in Computational Drug Discovery Methods
- Computational Drug Discovery Methods — 2 papers
- Artificial Intelligence — 1 papers
- Soft Condensed Matter — 1 papers
- Machine Learning in Bioinformatics — 1 papers
- Topological and Geometric Data Analysis — 1 papers
- Machine Learning — 1 papers
- Protein Structure and Dynamics — 1 papers
- Quantitative Methods — 1 papers
- Advanced Proteomics Techniques and Applications — 1 papers
Highest-Cited Papers
- TorchCraft: Unified binder design by inverting an all-atom structure predictor
- Conformational landscape of a macrocycle from REST enhanced sampling
- Deep Learning in Enzyme Function Prediction and Novel Enzyme Discovery
- Persistent Local Laplacian Prediction of Protein–Ligand Binding Affinities
- A curated benchmark for cofolding models on kinase conformational states
- Benchmarking Peptide-Protein Affinity Prediction Across Peptide and Target Shifts
- Physics-Informed Machine Learning for Prediction of Ligand Binding Kinetics: Leveraging Accelerated Molecular Dynamics Dynamic Fingerprints
- NMR Studies on Protein–Ligand Interactions
- Beyond Tokens: Probing Higher-Order Epistasis in Learned Protein Representations
- Siteomix: a PyMOL plugin for the detection, alignment, and similarity analysis of protein‒ligand binding sites