Johannes Kirchmair
Nature reviews. Drug discovery · 2008–2017
A researcher in the Science corpus: 4 papers; trusts 0 researchers and is trusted by 0 researchers here, as inferred from the citation graph.
Whom Johannes Kirchmair trusts overall
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Papers from Johannes Kirchmair's perspective
Ordered by how strongly the researchers Johannes Kirchmair trusts endorse each paper. Same corpus, a different order for every researcher.
- Efficient estimation of free energy differences from Monte Carlo data
- A computational procedure for determining energetically favorable binding sites on biologically important macromolecules.
- hERG K(+) channels: structure, function, and clinical significance. (Physiological Reviews)
- Prodrugs: design and clinical applications (Nature reviews. Drug discovery)
- Crystal structure of human cytochrome P450 2C9 with bound warfarin (Nature)
- P450 enzymes: their structure, reactivity, and selectivity-modeled by QM/MM calculations. (Chemical Reviews)
- Basic local alignment search tool.
- Comparison of shape-matching and docking as virtual screening tools.
- Consensus scoring: A method for obtaining improved hit rates from docking databases of three-dimensional structures into proteins.
- Γ and B
Their papers
- Benchmarking Commercial Conformer Ensemble Generators (2017) — 106 citations
- Predicting drug metabolism: experiment and/or computation? (2015) — 448 citations
- One Concept, Three Implementations of 3D Pharmacophore-Based Virtual Screening: Distinct Coverage of Chemical Search Space (2010) — 55 citations
- Evaluation of the performance of 3D virtual screening protocols: RMSD comparisons, enrichment assessments, and decoy selection—What can we learn from earlier mistakes? (2008) — 386 citations