Bernd Kuhn

Accounts of Chemical Research · 2000–2022

A researcher in the Science corpus: 6 papers; trusts 1 researcher and is trusted by 0 researchers here, as inferred from the citation graph.

Whom Bernd Kuhn trusts

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

1. Michael L. Waskom (in Information Systems)

Papers from Bernd Kuhn's perspective

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

1. Matplotlib: A 2D Graphics Environment
2. Phaser crystallographic software
3. Macromolecular TLS refinement in REFMAC at moderate resolutions.
4. BindingDB: a web-accessible database of experimentally determined protein–ligand binding affinities
5. Electronic Reprint Biological Crystallography Secondary-structure Matching (ssm), a New Tool for Fast Protein Structure Alignment in Three Dimensions Biological Crystallography Secondary-structure…
6. The Cambridge Structural Database
7. Refinement of severely incomplete structures with maximum likelihood in BUSTER-TNT.
8. Scikit-learn: Machine Learning in Python
9. Empirical scoring functions: I. The development of a fast empirical scoring function to estimate the binding affinity of ligands in receptor complexes
10. SciPy 1.0: fundamental algorithms for scientific computing in Python

Their papers

• Calculating structures and free energies of complex molecules: combining molecular mechanics and continuum models. (2000) — 4,533 citations
• D3R Grand Challenge 2: Blind Prediction of Protein-Ligand Poses, Affinity Rankings, and Relative Binding Free Energies (2017) — 173 citations
• Small Molecule Conformational Preferences Derived from Crystal Structure Data. A Medicinal Chemistry Focused Analysis (2008) — 317 citations
• A high quality, industrial data set for binding affinity prediction: performance comparison in different early drug discovery scenarios (2022) — 24 citations
• A Medicinal Chemist’s Guide to Molecular Interactions (2010) — 1,485 citations
• Fluorine in Medicinal Chemistry (2004) — 1,221 citations