Matthias Rarey
- Computational methods for biomolecular docking
1996/06/01 by Thomas Lengauer, Matthias Rarey · 2 citations
Biochemistry, Genetics and Molecular Biology · Chemistry · Computer Science · #Click Chemistry and Applications #Computational Drug Discovery Methods #Protein Structure and Dynamics
- Modern machine‐learning for binding affinity estimation of protein–ligand complexes: Progress, opportunities, and challenges
2024/05/01 by Tobias Harren, Torben Gutermuth, Christoph Grebner +2 · 1 voice · 2 citations
Biochemistry, Genetics and Molecular Biology · Computer Science · #Computational Drug Discovery Methods #Protein Structure and Dynamics #vaccines and immunoinformatics approaches
- Small Molecule Docking and Scoring
2001/07/13 by Ingo Muegge, Matthias Rarey · 1 citation
Computer Science · Chemistry · Medicine · #Computational Drug Discovery Methods #Docking (animal) #Protein–ligand docking #Virtual screening #Searching the conformational space for docking #Computer science #Computational biology #Artificial intelligence #Drug discovery #Chemistry #Protein structure #Biology #Biochemistry #Medicine