John J. Irwin

Orcid: 0000-0002-1195-6417

According to our database1, John J. Irwin authored at least 17 papers between 2005 and 2024.

Collaborative distances:
  • Dijkstra number2 of five.
  • Erdős number3 of four.

Timeline

Legend:

Book 
In proceedings 
Article 
PhD thesis 
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Links

Online presence:

On csauthors.net:

Bibliography

2024
Docking for Molecules That Bind in a Symmetric Stack with SymDOCK.
J. Chem. Inf. Model., 2024

DockOpt: A Tool for Automatic Optimization of Docking Models.
J. Chem. Inf. Model., 2024

2023
Large-Scale Docking in the Cloud.
J. Chem. Inf. Model., May, 2023

ZINC-22─A Free Multi-Billion-Scale Database of Tangible Compounds for Ligand Discovery.
J. Chem. Inf. Model., February, 2023

2021
Property-Unmatched Decoys in Docking Benchmarks.
J. Chem. Inf. Model., 2021

Ligand Strain Energy in Large Library Docking.
J. Chem. Inf. Model., 2021

2020
ZINC20 - A Free Ultralarge-Scale Chemical Database for Ligand Discovery.
J. Chem. Inf. Model., 2020

2018
Predicted Biological Activity of Purchasable Chemical Space.
J. Chem. Inf. Model., 2018

2015
ZINC 15 - Ligand Discovery for Everyone.
J. Chem. Inf. Model., 2015

2012
ZINC: A Free Tool to Discover Chemistry for Biology.
J. Chem. Inf. Model., 2012

2011
Statistical Potential for Modeling and Ranking of Protein-Ligand Interactions.
J. Chem. Inf. Model., 2011

2009
Molecular Docking Screens Using Comparative Models of Proteins.
J. Chem. Inf. Model., 2009

2008
Quantifying the Relationships among Drug Classes.
J. Chem. Inf. Model., 2008

Community benchmarks for virtual screening.
J. Comput. Aided Mol. Des., 2008

2006
Physics-Based Scoring of Protein-Ligand Complexes: Enrichment of Known Inhibitors in Large-Scale Virtual Screening.
J. Chem. Inf. Model., 2006

2005
ZINC - A Free Database of Commercially Available Compounds for Virtual Screening.
J. Chem. Inf. Model., 2005

Software Review: ChemOffice 2005 Pro by CambridgeSoft.
J. Chem. Inf. Model., 2005


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