Geoffrey R Hutchison
20PUBLICATIONS
30CO-AUTHORS
Get your video featured.
Publish with JoVEGet your video featured.
Publish with JoVE
Publications (20)
Sort by Publication Date:
|Jul 25, 2024
cclib 2.0: An updated architecture for interoperable computational chemistry.Eric Berquist, Amanda Dumi, Shiv Upadhyay
|Jun 04, 2024
QupKake: Integrating Machine Learning and Quantum Chemistry for Micro-pKa Predictions.Omri D Abarbanel, Geoffrey R Hutchison
|Nov 24, 2023
Systematic Comparison of Experimental Crystallographic Geometries and Gas-Phase Computed Conformers for Torsion Preferences.Dakota L Folmsbee, David R Koes, Geoffrey R Hutchison
|Oct 30, 2023
Conformer Generation for Structure-Based Drug Design: How Many and How Good?Andrew T McNutt, Fatimah Bisiriyu, Sophia Song
|Sep 01, 2023
Determining best practices for using genetic algorithms in molecular discovery.Brianna L Greenstein, Danielle C Elsey, Geoffrey R Hutchison
|Apr 17, 2023
Using genetic algorithms to discover novel ground-state triplet conjugated polymers.Omri D Abarbanel, Geoffrey R Hutchison
Pageof 4
Frequent Collaborators
3 joint publications
Lucian Chan
3 joint publications
Garrett M Morris
3 joint publications
David Ryan Koes
3 joint publications
Omri D Abarbanel
3 joint publications
Danielle C Hiener
2 joint publications
W Seth Horne
2 joint publications
Brianna L Greenstein
1 joint publications
David van der Spoel
1 joint publications
Naruki Yoshikawa
1 joint publications
Karol M Langner
