Caitlin C Bannan
5PUBLICATIONS
14CO-AUTHORS
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Publications (5)
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|May 19, 2022
Early Career Perspectives from Large Pharma, Software, and Start-up Companies.Fiorella Ruggiu, Caitlin Bannan, Andrea Bootsma
|Sep 22, 2021
Development and Benchmarking of Open Force Field v1.0.0-the Parsley Small-Molecule Force Field.Yudong Qiu, Daniel G A Smith, Simon Boothroyd
|Jan 28, 2021
Improving small molecule force fields by identifying and characterizing small molecules with inconsistent parameters.Jordan N Ehrman, Victoria T Lim, Caitlin C Bannan
|Dec 05, 2018
Toward Learned Chemical Perception of Force Field Typing Rules.Camila Zanette, Caitlin C Bannan, Christopher I Bayly
|Oct 24, 2018
Escaping Atom Types in Force Fields Using Direct Chemical Perception.David L Mobley, Caitlin C Bannan, Andrea Rizzi
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Frequent Collaborators
4 joint publications
David L Mobley
3 joint publications
John D Chodera
3 joint publications
Michael R Shirts
2 joint publications
Michael K Gilson
2 joint publications
Victoria T Lim
1 joint publications
Fiorella Ruggiu
1 joint publications
Andrea Bootsma
1 joint publications
Jordan N Ehrman
1 joint publications
Yudong Qiu
1 joint publications
Daniel G A Smith
