Geoffrey R. Hutchison

12 papers Journal 12
YearRankTypeTitle / Venue / Authors
2023 J jnl
Conformer Generation for Structure-Based Drug Design: How Many and How Good?
J. Chem. Inf. Model.
Andrew T. McNutt, Fatimah Bisiriyu, Sophia Song, Ananya Vyas, Geoffrey R. Hutchison, David Ryan Koes
2023 J jnl
Systematic Comparison of Experimental Crystallographic Geometries and Gas-Phase Computed Conformers for Torsion Preferences.
J. Chem. Inf. Model.
Dakota L. Folmsbee, David Ryan Koes, Geoffrey R. Hutchison
2021 J jnl
Understanding Ring Puckering in Small Molecules and Cyclic Peptides.
J. Chem. Inf. Model.
Lucian Chan, Geoffrey R. Hutchison, Garrett M. Morris
2019 J jnl
Bayesian optimization for conformer generation.
J. Cheminformatics
Lucian Chan, Geoffrey R. Hutchison, Garrett M. Morris
2019 J jnl
Fast, efficient fragment-based coordinate generation for Open Babel.
J. Cheminformatics
Naruki Yoshikawa, Geoffrey R. Hutchison
2012 J jnl
Avogadro: An advanced semantic chemical editor, visualization, and analysis platform.
J. Cheminformatics
Marcus D. Hanwell, Donald Ephraim Curtis, David C. Lonie, Tim Vandermeersch, Eva Zurek, Geoffrey R. Hutchison
2011 J jnl
Confab - Systematic generation of diverse low-energy conformers.
J. Cheminformatics
Noel M. O'Boyle, Tim Vandermeersch, Christopher J. Flynn, Anita R. Maguire, Geoffrey R. Hutchison
2011 J jnl
Confab - generation of diverse low energy conformers.
J. Cheminformatics
Noel M. O'Boyle, Tim Vandermeersch, Geoffrey R. Hutchison
2011 J jnl
De novo design of molecular wires with optimal properties for solar energy conversion.
J. Cheminformatics
Noel M. O'Boyle, Casey M. Campbell, Geoffrey R. Hutchison
2011 J jnl
Open Babel: An open chemical toolbox.
J. Cheminformatics
Noel M. O'Boyle, Michael Banck, Craig A. James, Chris Morley, Tim Vandermeersch, Geoffrey R. Hutchison
2011 J jnl
Open Data, Open Source and Open Standards in chemistry: The Blue Obelisk five years on.
J. Cheminformatics
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
2006 J jnl
The Blue Obelisk-Interoperability in Chemical Informatics.
J. Chem. Inf. Model.
Rajarshi Guha, Michael T. Howard, Geoffrey R. Hutchison, Peter Murray-Rust, Henry S. Rzepa, Christoph Steinbeck, Jörg K. Wegner, Egon L. Willighagen