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Physical Chemistry

(2)

Theoretical and Computational Chemistry

(4)

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Working Paper

(4)

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Over 3 years

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Lucian Chan

4 results in Authors: Lucian Chan

Theoretical and Computational Chemistry

BOKEI: Bayesian Optimization Using Knowledge of Correlated Torsions and Expected Improvement for Conformer Generation

Lucian Chan, Geoffrey Hutchison, Garrett Morris

Version 1 posted 02 August 2019

662

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Theoretical and Computational Chemistry

Understanding Ring Puckering in Small Molecules and Cyclic Peptides

Lucian Chan, Geoffrey Hutchison, Garrett Morris

Version 1 posted 25 September 2020

1,257

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Theoretical and Computational Chemistry

Bayesian Optimization for Conformer Generation

Lucian Chan, Geoffrey Hutchison, Garrett Morris

Version 4 posted 12 February 2019

2,022

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Theoretical and Computational Chemistry

Understanding Conformational Entropy in Small Molecules

Lucian Chan, Garrett Morris, Geoffrey Hutchison

Version 2 posted 01 March 2021

3,305

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