Geoffrey R. Hutchison

According to our database, Geoffrey R. Hutchison authored at least 12 papers between 2006 and 2023.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of four.

2023

Systematic Comparison of Experimental Crystallographic Geometries and Gas-Phase Computed Conformers for Torsion Preferences.

Dakota L. Folmsbee, David Ryan Koes, Geoffrey R. Hutchison

J. Chem. Inf. Model., December, 2023

Conformer Generation for Structure-Based Drug Design: How Many and How Good?

Andrew T. McNutt, Fatimah Bisiriyu, Sophia Song, Ananya Vyas, Geoffrey R. Hutchison, David Ryan Koes

J. Chem. Inf. Model., November, 2023

2021

Understanding Ring Puckering in Small Molecules and Cyclic Peptides.

Lucian Chan, Geoffrey R. Hutchison, Garrett M. Morris

J. Chem. Inf. Model., 2021

2019

Fast, efficient fragment-based coordinate generation for Open Babel.

Naruki Yoshikawa, Geoffrey R. Hutchison

J. Cheminformatics, 2019

Bayesian optimization for conformer generation.

Lucian Chan, Geoffrey R. Hutchison, Garrett M. Morris

J. Cheminformatics, 2019

2012

Avogadro: An advanced semantic chemical editor, visualization, and analysis platform.

Marcus D. Hanwell, Donald Ephraim Curtis, David C. Lonie, Tim Vandermeersch, Eva Zurek, Geoffrey R. Hutchison

J. Cheminformatics, 2012

2011

Confab - generation of diverse low energy conformers.

Noel M. O'Boyle, Tim Vandermeersch, Geoffrey R. Hutchison

J. Cheminformatics, 2011

Confab - Systematic generation of diverse low-energy conformers.

Noel M. O'Boyle, Tim Vandermeersch, Christopher J. Flynn, Anita R. Maguire, Geoffrey R. Hutchison

J. Cheminformatics, 2011

Open Data, Open Source and Open Standards in chemistry: The Blue Obelisk five years on.

Noel M. O'Boyle, Rajarshi Guha, Egon L. Willighagen, Sam E. Adams, Jonathan Alvarsson, Jean-Claude Bradley, Igor V. Filippov, Robert M. Hanson, Marcus D. Hanwell, Geoffrey R. Hutchison, Craig A. James, Nina Jeliazkova, Andrew S. I. D. Lang, Karol M. Langner, David C. Lonie, Daniel M. Lowe, Jérôme Pansanel, Dmitry Pavlov, Ola Spjuth, Christoph Steinbeck, Adam L. Tenderholt, Kevin J. Theisen, Peter Murray-Rust

J. Cheminformatics, 2011

De novo design of molecular wires with optimal properties for solar energy conversion.

Noel M. O'Boyle, Casey M. Campbell, Geoffrey R. Hutchison

J. Cheminformatics, 2011

Open Babel: An open chemical toolbox.

Noel M. O'Boyle, Michael Banck, Craig A. James, Chris Morley, Tim Vandermeersch, Geoffrey R. Hutchison

J. Cheminformatics, 2011

2006

The Blue Obelisk-Interoperability in Chemical Informatics.

Rajarshi Guha, Michael T. Howard, Geoffrey R. Hutchison, Peter Murray-Rust, Henry S. Rzepa, Christoph Steinbeck, Jörg K. Wegner, Egon L. Willighagen

J. Chem. Inf. Model., 2006