Matthias Rarey

Universität Hamburg

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Articles (21)

Collaborators (2)

Patrick Penner

Novartis Institutes for BioMedical Research Inc

Christophe Meyer

Head of Molecular Modeling and Chemoinformatics

Institut de recherches Servier

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Matthias Rarey

Research Interests

Explore related searches

Contact this professor

Articles (21)

Collaborators (2)

Patrick Penner

Christophe Meyer

Make your next move.

Matthias Rarey

Research Interests

Explore related searches

Contact this professor

Articles (21)

Combining crystallographic and binding affinity data towards a novel dataset of small molecule overlays

SmartChemist─Simplifying Communication About Organic Chemical Structures

Correction: SAVI Space—combinatorial encoding of the billion-size synthetically accessible virtual inventory

ProteinsPlus: a publicly available resource for protein structure mining

SAVI Space—combinatorial encoding of the billion-size synthetically accessible virtual inventory

SpaceGrow: efficient shape-based virtual screening of billion-sized combinatorial fragment spaces

User-centric design of a 3D search interface for protein-ligand complexes

Modern machine‐learning for binding affinity estimation of protein–ligand complexes: Progress, opportunities, and challenges

SiteMine: Large‐scale binding site similarity searching in protein structure databases

Database-Driven Identification of Structurally Similar Protein-Protein Interfaces

Full Modification Control over Retrosynthetic Routes for Guided Optimization of Lead Structures

PoseEdit: enhanced ligand binding mode communication by interactive 2D diagrams

Navigating large chemical spaces in early-phase drug discovery

Binding Site Detection Remastered: Enabling Fast, Robust, and Reliable Binding Site Detection and Descriptor Calculation with DoGSite3

Modeling with Alternate Locations in X-ray Protein Structures

Small molecule superposition: A comprehensive overview on pose scoring of the latest methods

Galileo: Three-dimensional searching in large combinatorial fragment spaces on the example of pharmacophores

FastGrow: on-the-fly growing and its application to DYRK1A

ProteinsPlus: a comprehensive collection of web-based molecular modeling tools

Visualizing Generic Reaction Patterns

Synthesis-Aware Generation of Structural Analogues

Collaborators (2)

Patrick Penner

Christophe Meyer

Make your next move.