Christian Kramer

Journal of Chemical Information and Modeling · 2010–2022

A researcher in the Science corpus: 5 papers; trusts 1 researcher and is trusted by 5 researchers here, as inferred from the citation graph.

Whom Christian Kramer trusts overall

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

1. Michael L. Waskom

Who trusts Christian Kramer overall

1. Elizabeth Yuriev
2. Paul A. Ramsland
3. Wengong Jin
4. Duc Duy Nguyen

Papers from Christian Kramer's perspective

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

1. BindingDB: a web-accessible database of experimentally determined protein–ligand binding affinities
2. Matplotlib: A 2D Graphics Environment
3. Scikit-learn: Machine Learning in Python
4. Directory of Useful Decoys, Enhanced (DUD-E): Better Ligands and Decoys for Better Benchmarking
5. Theory of intermolecular forces
6. Empirical scoring functions: I. The development of a fast empirical scoring function to estimate the binding affinity of ligands in receptor complexes
7. Conformer Generation with OMEGA: Algorithm and Validation Using High Quality Structures from the Protein Databank and Cambridge Structural Database
8. Maximum Unbiased Validation (MUV) Data Sets for Virtual Screening Based on PubChem Bioactivity Data
9. The Cambridge Structural Database
10. SciPy 1.0: fundamental algorithms for scientific computing in Python

Their papers

• Leave-Cluster-Out Cross-Validation Is Appropriate for Scoring Functions Derived from Diverse Protein Data Sets (2010) — 102 citations
• mmpdb: An Open-Source Matched Molecular Pair Platform for Large Multiproperty Data Sets (2018) — 102 citations
• MM/GBSA Binding Energy Prediction on the PDBbind Data Set: Successes, Failures, and Directions for Further Improvement (2013) — 305 citations
• A high quality, industrial data set for binding affinity prediction: performance comparison in different early drug discovery scenarios (2022) — 24 citations
• Atomic multipoles: Electrostatic potential fit, local reference axis systems, and conformational dependence (2012) — 68 citations