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A SARS-CoV-2 Protein Interaction Map Reveals Targets for Drug-Repurposing
- D. Gordon, Gwendolyn M. Jang, N. Krogan
- BiologyNature
- 30 April 2020
TLDR
ZINC - A Free Database of Commercially Available Compounds for Virtual Screening
- J. Irwin, B. Shoichet
- ChemistryJ. Chem. Inf. Model.
- 2005
TLDR
Directory of Useful Decoys, Enhanced (DUD-E): Better Ligands and Decoys for Better Benchmarking
- Michael M. Mysinger, Michael Carchia, J. Irwin, B. Shoichet
- ChemistryJournal of medicinal chemistry
- 20 June 2012
TLDR
Benchmarking sets for molecular docking.
- N. Huang, B. Shoichet, J. Irwin
- Chemistry, BiologyJournal of medicinal chemistry
- 16 November 2006
TLDR
Relating protein pharmacology by ligand chemistry
- Michael J. Keiser, B. Roth, B. Armbruster, P. Ernsberger, J. Irwin, B. Shoichet
- BiologyNature Biotechnology
- 1 February 2007
TLDR
ZINC ? A Free Database of Commercially Available Compounds for Virtual Screening.
- J. Irwin, B. Shoichet
- Medicine
- 19 April 2005
The Global Phosphorylation Landscape of SARS-CoV-2 Infection
- M. Bouhaddou, D. Memon, N. Krogan
- BiologyCell
- 22 June 2020
A SARS-CoV-2-Human Protein-Protein Interaction Map Reveals Drug Targets and Potential Drug-Repurposing
- D. Gordon, Gwendolyn M. Jang, N. Krogan
- BiologybioRxiv
- 22 March 2020
TLDR
Predicting new molecular targets for known drugs
- Michael J. Keiser, V. Setola, B. Roth
- Biology, ChemistryNature
- 17 September 2009
TLDR
Automated docking with grid‐based energy evaluation
- E. Meng, B. Shoichet, I. Kuntz
- Chemistry
- 1 May 1992
The ability to generate feasible binding orientations of a small molecule within a site of known structure is important for ligand design. We present a method that combines a rapid, geometric docking…
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