Matthias Rarey

Computational Theory and Mathematics · 1996–2017

A researcher in the Science corpus: 14 papers; trusts 11 researchers and is trusted by 26 researchers here, as inferred from the citation graph.

Subfields

• Computational Theory and Mathematics — 44 citations into it; #4,091 of 12,182 by trust here, #855 by citations
• Molecular Biology — 41 citations into it; #4,488 of 17,773 by trust here, #5,137 by citations
• Computational Chemistry & Drug Discovery — 25 citations into it; #83 of 425 by trust here, #77 by citations
• Materials Chemistry — 9 citations into it
• Pharmacology — 9 citations into it; #410 of 1,112 by trust here, #429 by citations

Whom Matthias Rarey trusts overall

Their strongest outbound trust, strongest first, inferred from their citations.

1. Irwin D. Kuntz
2. Hans-Joachim Böhm
3. Katrin Stierand
4. Nils Gehlenborg
5. Patrick C. Maaß

Who trusts Matthias Rarey overall

1. Gerhard Klebe
2. Shengyou Huang
3. Holger Gohlke
4. Mehmet Gönen
5. Katrin Stierand
6. Wengong Jin
7. Zsolt Bikádi
8. Veronica Salmaso
9. Zhong-Ru Xie
10. Tatu Pantsar

Papers from Matthias Rarey's perspective

Ordered by how strongly the researchers Matthias Rarey trusts endorse each paper. Same corpus, a different order for every researcher.

1. A new test set for validating predictions of protein–ligand interaction (Proteins: Structure, Function, and Bioinformatics)
2. The development of a simple empirical scoring function to estimate the binding constant for a protein-ligand complex of known three-dimensional structure
3. The Protein Data Bank: a computer-based archival file for macromolecular structures.
4. Structure-Based Strategies for Drug Design and Discovery
5. Molecular complexes at a glance: automated generation of two-dimensional complex diagrams (Bioinform.)
6. Visualization of omics data for systems biology (Nature Methods)
7. Pattern classification and scene analysis
8. Rational automatic search method for stable docking models of protein and ligand.
9. A threading-based method (FINDSITE) for ligand-binding site prediction and functional annotation
10. Understanding and predicting druggability. A high-throughput method for detection of drug binding sites. (Journal of Medicinal Chemistry)

Their papers

• On the Art of Compiling and Using 'Drug‐Like' Chemical Fragment Spaces (2008) — 661 citations
• Benchmarking Commercial Conformer Ensemble Generators (2017) — 106 citations
• Detailed analysis of scoring functions for virtual screening. (2001) — 436 citations
• Drawing the PDB: Protein-Ligand Complexes in Two Dimensions. (2010) — 301 citations
• Recore: A Fast and Versatile Method for Scaffold Hopping Based on Small Molecule Crystal Structure Conformations (2007) — 133 citations
• Combining Global and Local Measures for Structure-Based Druggability Predictions (2012) — 470 citations
• Analyzing the Topology of Active Sites: On the Prediction of Pockets and Subpockets (2010) — 301 citations
• Molecular complexes at a glance: automated generation of two-dimensional complex diagrams (2006) — 385 citations
• Towards an Integrated Description of Hydrogen Bonding and Dehydration: Decreasing False Positives in Virtual Screening with the HYDE Scoring Function (2008) — 198 citations
• From Structure Diagrams to Visual Chemical Patterns (2010) — 61 citations
• DoGSiteScorer: a web server for automatic binding site prediction, analysis and druggability assessment (2012) — 548 citations
• NAOMI: On the Almost Trivial Task of Reading Molecules from Different File formats (2011) — 60 citations
• Feature trees: A new molecular similarity measure based on tree matching (1998)
• A fast flexible docking method using an incremental construction algorithm. (1996)