Mark A. Murcko
Computational Chemistry & Drug Discovery · 1993–2015
A researcher in the Science corpus: 6 papers; trusts 2 researchers and is trusted by 22 researchers here, as inferred from the citation graph.
Subfields
- Computational Chemistry & Drug Discovery — 19 citations into it; #85 of 425 by trust here, #92 by citations
Whom Mark A. Murcko trusts overall
Their strongest outbound trust, strongest first, inferred from their citations.
Who trusts Mark A. Murcko overall
- Douglas B. Kitchen
- Gisbert Schneider
- Jürgen Bajorath
- Izhar Wallach
- N. S. Pagadala
- Mariya Popova
- Vignesh Ram Somnath
- Shengyou Huang
- K. Bleicher
- Hans-Joachim Böhm
Papers from Mark A. Murcko's perspective
Ordered by how strongly the researchers Mark A. Murcko trusts endorse each paper. Same corpus, a different order for every researcher.
- The druggable genome (Nature reviews. Drug discovery)
- Molecular Complexity and Its Impact on the Probability of Finding Leads for Drug Discovery (Journal of chemical information and computer sciences)
- Drug discovery: a historical perspective. (Science)
- Ultra-large library docking for discovering new chemotypes (Nature)
- Protein-based virtual screening of chemical databases. 1. Evaluation of different docking/scoring combinations. (Journal of Medicinal Chemistry)
- KEGG for integration and interpretation of large-scale molecular data sets (Nucleic Acids Res.)
- Fast calculation of molecular polar surface area as a sum of fragment-based contributions and its application to the prediction of drug transport properties.
- Highly accurate protein structure prediction with AlphaFold
- The Protein Data Bank: a computer-based archival file for macromolecular structures.
- Trends in the exploitation of novel drug targets (Nature reviews. Drug discovery)
Their papers
- Accurate and reliable prediction of relative ligand binding potency in prospective drug discovery by way of a modern free-energy calculation protocol and force field. (2015) — 1,186 citations
- Prediction of 'drug-likeness'. (2002) — 395 citations
- Consensus scoring: A method for obtaining improved hit rates from docking databases of three-dimensional structures into proteins. (1999)
- Virtual screening : an overview (1998)
- The properties of known drugs. 1. Molecular frameworks. (1996)
- GroupBuild: a fragment-based method for de novo drug design. (1993)