Matthias Rarey

Universität Hamburg — Germany

Computer Science · Physical Sciences

56h-index16.9kcitations266works3.02yr avg
OpenAlex↗ORCID↗Google Scholar↗Lab page↗

Accepting Students?

No reports yet. Know if this professor is taking students?

Research Topics

Computational Drug Discovery Methods(207), Protein Structure and Dynamics(94), Enzyme Structure and Function(39), Microbial Natural Products and Biosynthesis(37), Chemical Synthesis and Analysis(35)

Publications264 total

Guiding Similarity Search in Chemical Fragment Spaces with Weighted Fingerprints
Journal of Chemical Information and Modeling·2026Open Access
Enabling automatic generation of protein-ligand complex datasets with atomistic detail
2026Open Access
Supporting Information for the StrAcTable publication
Universität Hamburg·2026Open Access
Supporting Information for the StrAcTable publication
Universität Hamburg·2026Open Access
Supporting Information Data for the Publication "Predicting Ligand Binding Modes by Scaffold-Guided Structure Refinement"
Universität Hamburg·2026Open Access
Supporting Information Data for the Publication "Predicting Ligand Binding Modes by Scaffold-Guided Structure Refinement"
Universität Hamburg·2026Open Access
Supporting Information Data for the Publication "Predicting Ligand Binding Modes by Scaffold-Guided Structure Refinement"
Universität Hamburg·2026Open Access
ActivityFinder: Toward the Fully Automatic Integration of Structural and Binding Affinity Data
Journal of Chemical Information and Modeling·2026· 1 citedOpen Access
A bottom-up approach to find lead compounds in expansive chemical spaces
Communications Chemistry·2025· 2 citedOpen Access
Correction: SAVI Space—combinatorial encoding of the billion-size synthetically accessible virtual inventory
Scientific Data·2025Open Access
SAVI Space—combinatorial encoding of the billion-size synthetically accessible virtual inventory
Scientific Data·2025· 3 citedOpen Access
SmartChemist─Simplifying Communication About Organic Chemical Structures
Journal of Chemical Information and Modeling·2025Open Access
Proteins<i>Plus</i>: a publicly available resource for protein structure mining
Nucleic Acids Research·2025· 10 citedOpen Access
Exploring common mechanisms of adverse drug reactions and disease phenotypes through network-based analysis
Cell Reports Methods·2025· 3 citedOpen Access
A novel bottom-up approach to find lead-compounds in billion-sized libraries
2025Open Access
Combining crystallographic and binding affinity data towards a novel dataset of small molecule overlays
Journal of Computer-Aided Molecular Design·2024· 1 citedOpen Access
DREAMER: Exploring Common Mechanisms of Adverse Drug Reactions and Disease Phenotypes through Network-Based Analysis
2024Open Access
Author response: SARS-CoV-2 methyltransferase nsp10-16 in complex with natural and drug-like purine analogs for guiding structure-based drug discovery
2024Open Access
SARS-CoV-2 methyltransferase nsp10-16 in complex with natural and drug-like purine analogs for guiding structure-based drug discovery
2024· 2 citedOpen Access
SARS-CoV-2 methyltransferase nsp10-16 in complex with natural and drug-like purine analogs for guiding structure-based drug discovery
2024Open Access
page 1 of 14Next →

Frequent Co-authors

Thomas Lengauer(11), Katrin Stierand(7), Florian Flachsenberg(7), Agnes Meyder(6), Bernd Krämer(5), Gudrun Lange(5), Robert J. Klein(5), Andrea Volkamer(4), Martin Ståhl(4), Eva Nittinger(4), Stefan Bietz(4), Christiane Ehrt(3), Sally Hindle(3), Konrad Diedrich(3), Tanja Schulz‐Gasch(3), Hans‐Christian Ehrlich(3), Nils‐Ole Friedrich(3), Kai Sommer(3), Johannes Kirchmair(3), Karen T. Schomburg(3)